2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid

C15H18FNO3 — CID 107175114

IUPAC2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid
SMILESCC1(C)CCCC1C(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H18FNO3/c1-15(2)7-3-4-11(15)13(18)17-12-8-9(16)5-6-10(12)14(19)20/h5-6,8,11H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLPAHPABDGXPIKG-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.29
Rot. Bonds3

About 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid

2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid (PubChem CID 107175114) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid
PubChem CID107175114
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid
SMILESCC1(C)CCCC1C(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C15H18FNO3/c1-15(2)7-3-4-11(15)13(18)17-12-8-9(16)5-6-10(12)14(19)20/h5-6,8,11H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLPAHPABDGXPIKG-UHFFFAOYSA-N
XLogP3.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid
CID 107175258
N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918053
N-(5-fluoro-2-sulfamoylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107182877
2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid
CID 107175171
4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid
CID 61157573
2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 64822060
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid
CID 107175434
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid
CID 107175446
2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64824996
(1S)-N-(5-fluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 137467542
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid (CID 107175114) is 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid is CC1(C)CCCC1C(=O)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid?
The InChIKey is LPAHPABDGXPIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-15(2)7-3-4-11(15)13(18)17-12-8-9(16)5-6-10(12)14(19)20/h5-6,8,11H,3-4,7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid?
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid has a molecular weight of 279.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 107175114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).