2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid

C14H17FN2O3 — CID 64824996

IUPAC2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
SMILESNC1CCCCC1C(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C14H17FN2O3/c15-8-5-6-10(14(19)20)12(7-8)17-13(18)9-3-1-2-4-11(9)16/h5-7,9,11H,1-4,16H2,(H,17,18)(H,19,20)
InChIKeyDFJNPYBCSWNTRK-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.98
Rot. Bonds3

About 2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid

2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid (PubChem CID 64824996) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
PubChem CID64824996
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
SMILESNC1CCCCC1C(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C14H17FN2O3/c15-8-5-6-10(14(19)20)12(7-8)17-13(18)9-3-1-2-4-11(9)16/h5-7,9,11H,1-4,16H2,(H,17,18)(H,19,20)
InChIKeyDFJNPYBCSWNTRK-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 64822060
2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770
3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64823949
2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
CID 64823038
2-amino-N-(4-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119679603
4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid
CID 61157573
2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64822915
2-(cyclopentylamino)-4-fluorobenzoic acid
CID 82933177
2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64824097
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 107175114
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661
4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62358546

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid (CID 64824996) is 2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid is NC1CCCCC1C(=O)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid?
The InChIKey is DFJNPYBCSWNTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-8-5-6-10(14(19)20)12(7-8)17-13(18)9-3-1-2-4-11(9)16/h5-7,9,11H,1-4,16H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid?
2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid has a molecular weight of 280.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 64824996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).