1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl-(3-fluoro-4-morpholin-4-ylphenyl)carbamic acid

2.1.2 InChI

InChI=1S/C18H19FN2O3/c19-16-12-15(6-7-17(16)20-8-10-24-11-9-20)21(18(22)23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,22,23)

2.1.3 InChI Key

XPEZORGOPZCJEV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COCCN1C2=C(C=C(C=C2)N(CC3=CC=CC=C3)C(=O)O)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl8425448

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₉FN₂O₃
Molecular Weight	330.4 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	330.13797063 g/mol
Monoisotopic Mass	330.13797063 g/mol
Topological Polar Surface Area	53 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	411
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

N-Carboxybenzyl-3-Fluoro-4-Morpholinoaniline