1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid

C14H17FN2O3 — CID 61158524

IUPAC1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESNc1ccc(F)cc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H17FN2O3/c15-9-4-5-11(16)10(8-9)12(18)17-14(13(19)20)6-2-1-3-7-14/h4-5,8H,1-3,6-7,16H2,(H,17,18)(H,19,20)
InChIKeyPCQQNRVRLZAUNV-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.93
Rot. Bonds3

About 1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid

1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61158524) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61158524
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESNc1ccc(F)cc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H17FN2O3/c15-9-4-5-11(16)10(8-9)12(18)17-14(13(19)20)6-2-1-3-7-14/h4-5,8H,1-3,6-7,16H2,(H,17,18)(H,19,20)
InChIKeyPCQQNRVRLZAUNV-UHFFFAOYSA-N
XLogP1.93
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.93
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

1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24708713
1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013377
1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545
1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329492
1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 75402965
1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid
CID 115413408
1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43341197
2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide
CID 61217018
1-[(3-fluoropyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 64950656
1-[(2-bromo-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107629068
1-[(2-bromo-5-fluorobenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291061
1-[(2-bromo-4-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107986460

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid (CID 61158524) is 1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid is Nc1ccc(F)cc1C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is PCQQNRVRLZAUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-9-4-5-11(16)10(8-9)12(18)17-14(13(19)20)6-2-1-3-7-14/h4-5,8H,1-3,6-7,16H2,(H,17,18)(H,19,20).
What are the key properties of 1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61158524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).