2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid

C16H20FNO3 — CID 107175171

IUPAC2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid
SMILESCC1(C)CCCCC1C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C16H20FNO3/c1-16(2)9-4-3-6-10(16)14(19)18-12-8-5-7-11(17)13(12)15(20)21/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQHCHSIRLJWMZRR-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.68
Rot. Bonds3

About 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid

2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid (PubChem CID 107175171) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid
PubChem CID107175171
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid
SMILESCC1(C)CCCCC1C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C16H20FNO3/c1-16(2)9-4-3-6-10(16)14(19)18-12-8-5-7-11(17)13(12)15(20)21/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQHCHSIRLJWMZRR-UHFFFAOYSA-N
XLogP3.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2,2-dimethylcyclohexanecarbonyl)amino]phenyl]acetic acid
CID 107175401
2-[(1,1-dioxothiane-2-carbonyl)amino]-6-fluorobenzoic acid
CID 104517456
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 107175114
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid
CID 107175258
N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178518
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107176027
6-[(2,2-dimethylcyclohexanecarbonyl)amino]pyridine-2-carboxylic acid
CID 107175489
2-fluoro-6-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462407
2-(cyclopent-3-ene-1-carbonylamino)-6-fluorobenzoic acid
CID 64767259
3-bromo-2-[(2,2-dimethylcyclohexanecarbonyl)amino]benzoic acid
CID 107175448
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918053

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid?
The IUPAC name of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid (CID 107175171) is 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid is CC1(C)CCCCC1C(=O)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid?
The InChIKey is QHCHSIRLJWMZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-16(2)9-4-3-6-10(16)14(19)18-12-8-5-7-11(17)13(12)15(20)21/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid?
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid has a molecular weight of 293.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid is sourced from PubChem (CID 107175171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).