2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid

C15H19ClN2O3 — CID 61159785

IUPAC2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid
SMILESNc1cc(C(=O)NC(C(=O)O)C2CCCCC2)ccc1Cl
InChIInChI=1S/C15H19ClN2O3/c16-11-7-6-10(8-12(11)17)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h6-9,13H,1-5,17H2,(H,18,19)(H,20,21)
InChIKeyKUEWUXTVOBLIKO-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.69
Rot. Bonds4

About 2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid

2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid (PubChem CID 61159785) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid
PubChem CID61159785
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid
SMILESNc1cc(C(=O)NC(C(=O)O)C2CCCCC2)ccc1Cl
InChIInChI=1S/C15H19ClN2O3/c16-11-7-6-10(8-12(11)17)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h6-9,13H,1-5,17H2,(H,18,19)(H,20,21)
InChIKeyKUEWUXTVOBLIKO-UHFFFAOYSA-N
XLogP2.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid
CID 63188445
2-cyclohexyl-2-[(3,5-dichlorobenzoyl)amino]acetic acid
CID 61014510
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid
CID 61014771
2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
CID 55108280
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 94413683
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
2-[(2-chloropyridine-4-carbonyl)amino]-2-cyclopropylacetic acid
CID 103790725
(2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid
CID 77105763
3-[(3-amino-4-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63042958

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid?
The IUPAC name of 2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid (CID 61159785) is 2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid?
The canonical SMILES for 2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid is Nc1cc(C(=O)NC(C(=O)O)C2CCCCC2)ccc1Cl.
What is the InChIKey of 2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid?
The InChIKey is KUEWUXTVOBLIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-11-7-6-10(8-12(11)17)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h6-9,13H,1-5,17H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid?
2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid has a molecular weight of 310.78 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid is sourced from PubChem (CID 61159785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).