3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid

C14H17FN2O3 — CID 64823949

IUPAC3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
SMILESNC1CCCCC1C(=O)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C14H17FN2O3/c15-10-6-5-8(14(19)20)7-12(10)17-13(18)9-3-1-2-4-11(9)16/h5-7,9,11H,1-4,16H2,(H,17,18)(H,19,20)
InChIKeyFHYGLZXVVVQVAF-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.98
Rot. Bonds3

About 3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid

3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid (PubChem CID 64823949) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
PubChem CID64823949
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
SMILESNC1CCCCC1C(=O)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C14H17FN2O3/c15-10-6-5-8(14(19)20)7-12(10)17-13(18)9-3-1-2-4-11(9)16/h5-7,9,11H,1-4,16H2,(H,17,18)(H,19,20)
InChIKeyFHYGLZXVVVQVAF-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

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Related Compounds

2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64822915
3-[(2-aminocyclopentanecarbonyl)amino]-4-hydroxybenzoic acid
CID 107265105
2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64824097
3-[(2-aminocyclopentanecarbonyl)amino]-4-bromobenzoic acid
CID 107813555
N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
CID 64822591
2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64824996
4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855570
2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 64822060
3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid
CID 60748335
2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381
2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
CID 64823038
5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide
CID 64824712

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid (CID 64823949) is 3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid is NC1CCCCC1C(=O)Nc1cc(C(=O)O)ccc1F.
What is the InChIKey of 3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid?
The InChIKey is FHYGLZXVVVQVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-10-6-5-8(14(19)20)7-12(10)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 3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid?
3-[(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 3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 64823949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).