4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid

C14H17FN2O3 — CID 61160859

IUPAC4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESNc1ccc(F)cc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H17FN2O3/c15-9-3-6-12(16)11(7-9)13(18)17-10-4-1-8(2-5-10)14(19)20/h3,6-8,10H,1-2,4-5,16H2,(H,17,18)(H,19,20)
InChIKeyMCTCLYGEFOILSG-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.78
Rot. Bonds3

About 4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid

4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61160859) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61160859
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESNc1ccc(F)cc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H17FN2O3/c15-9-3-6-12(16)11(7-9)13(18)17-10-4-1-8(2-5-10)14(19)20/h3,6-8,10H,1-2,4-5,16H2,(H,17,18)(H,19,20)
InChIKeyMCTCLYGEFOILSG-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
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

2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120679011
2-amino-5-fluoro-N-(2-hydroxycyclohexyl)benzamide
CID 62366282
2-amino-N-cycloheptyl-4-fluorobenzamide
CID 55139018
N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281742
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
N-(4-aminocyclohexyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119478924
N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281549
2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide
CID 63110662
2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide
CID 75465077
4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide
CID 62680438

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid (CID 61160859) is 4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid is Nc1ccc(F)cc1C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is MCTCLYGEFOILSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-9-3-6-12(16)11(7-9)13(18)17-10-4-1-8(2-5-10)14(19)20/h3,6-8,10H,1-2,4-5,16H2,(H,17,18)(H,19,20).
What are the key properties of 4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61160859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).