2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid

C14H17FN2O3 — CID 63047302

IUPAC2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid
SMILESNC1CCCC(C(=O)Nc2ccc(F)cc2C(=O)O)C1
InChIInChI=1S/C14H17FN2O3/c15-9-4-5-12(11(7-9)14(19)20)17-13(18)8-2-1-3-10(16)6-8/h4-5,7-8,10H,1-3,6,16H2,(H,17,18)(H,19,20)
InChIKeyHUGYYLSZPBSXOP-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.98
Rot. Bonds3

About 2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid

2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid (PubChem CID 63047302) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid
PubChem CID63047302
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid
SMILESNC1CCCC(C(=O)Nc2ccc(F)cc2C(=O)O)C1
InChIInChI=1S/C14H17FN2O3/c15-9-4-5-12(11(7-9)14(19)20)17-13(18)8-2-1-3-10(16)6-8/h4-5,7-8,10H,1-3,6,16H2,(H,17,18)(H,19,20)
InChIKeyHUGYYLSZPBSXOP-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-[(3-aminocyclohexanecarbonyl)amino]-5-bromobenzoic acid
CID 63046627
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 55147503
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119771657
2-[(3-aminocyclohexanecarbonyl)amino]-4-chlorobenzoic acid
CID 63046093
3-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]cyclohexane-1-carboxamide
CID 119795110
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
CID 115411606
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119702541
2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770
3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid?
The IUPAC name of 2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid (CID 63047302) is 2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid is NC1CCCC(C(=O)Nc2ccc(F)cc2C(=O)O)C1.
What is the InChIKey of 2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid?
The InChIKey is HUGYYLSZPBSXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-9-4-5-12(11(7-9)14(19)20)17-13(18)8-2-1-3-10(16)6-8/h4-5,7-8,10H,1-3,6,16H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid?
2-[(3-aminocyclohexanecarbonyl)amino]-5-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-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid is sourced from PubChem (CID 63047302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).