2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid

C19H21ClN2O3 — CID 120509484

IUPAC2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid
SMILESCCCC(NCc1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)O
InChIInChI=1S/C19H21ClN2O3/c1-2-6-17(19(24)25)21-12-13-7-5-8-14(11-13)22-18(23)15-9-3-4-10-16(15)20/h3-5,7-11,17,21H,2,6,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyPYCGXHYSTUZOMY-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.94
Rot. Bonds8

About 2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid

2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid (PubChem CID 120509484) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid
PubChem CID120509484
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid
SMILESCCCC(NCc1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)O
InChIInChI=1S/C19H21ClN2O3/c1-2-6-17(19(24)25)21-12-13-7-5-8-14(11-13)22-18(23)15-9-3-4-10-16(15)20/h3-5,7-11,17,21H,2,6,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyPYCGXHYSTUZOMY-UHFFFAOYSA-N
XLogP3.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601974
2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid
CID 120509588
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide
CID 27654549
2-[(4-chlorophenyl)methylamino]pentanoic acid
CID 43631664
N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide
CID 51120300
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923898
(2R)-2-(benzylamino)hexanoic acid
CID 129366307
2-[(3,4-dimethylphenyl)methylamino]pentanoic acid
CID 54977543
2-[(4-chloro-3-nitrophenyl)methylamino]pentanoic acid
CID 82364711
2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide
CID 31563304

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid?
The IUPAC name of 2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid (CID 120509484) is 2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid.
What is the SMILES notation for 2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid?
The canonical SMILES for 2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid is CCCC(NCc1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)O.
What is the InChIKey of 2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid?
The InChIKey is PYCGXHYSTUZOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-2-6-17(19(24)25)21-12-13-7-5-8-14(11-13)22-18(23)15-9-3-4-10-16(15)20/h3-5,7-11,17,21H,2,6,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid?
2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid has a molecular weight of 360.84 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-chlorobenzoyl)amino]phenyl]methylamino]pentanoic acid is sourced from PubChem (CID 120509484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).