5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid

C15H17F2NO3 — CID 107175258

IUPAC5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid
SMILESCC1(C)CCCC1C(=O)Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C15H17F2NO3/c1-15(2)5-3-4-9(15)13(19)18-12-6-8(14(20)21)10(16)7-11(12)17/h6-7,9H,3-5H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyANVVXFLBUNTVGF-UHFFFAOYSA-N
MW297.30 g/mol
LogP3.43
Rot. Bonds3

About 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid

5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid (PubChem CID 107175258) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid.

Molecular Properties

Compound Name5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid
PubChem CID107175258
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid
SMILESCC1(C)CCCC1C(=O)Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C15H17F2NO3/c1-15(2)5-3-4-9(15)13(19)18-12-6-8(14(20)21)10(16)7-11(12)17/h6-7,9H,3-5H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyANVVXFLBUNTVGF-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 107175114
N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107174661
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid
CID 107175446
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid
CID 107175434
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-6-fluorobenzoic acid
CID 107175171
N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918053
N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107174662
2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067256
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
2,4-difluoro-5-[1-(1-methylcyclopropyl)ethylamino]benzoic acid
CID 43737134
5-(cyclopentylamino)-2,4-difluorobenzoic acid
CID 43737090
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid?
The IUPAC name of 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid (CID 107175258) is 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid.
What is the SMILES notation for 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid?
The canonical SMILES for 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid is CC1(C)CCCC1C(=O)Nc1cc(C(=O)O)c(F)cc1F.
What is the InChIKey of 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid?
The InChIKey is ANVVXFLBUNTVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-15(2)5-3-4-9(15)13(19)18-12-6-8(14(20)21)10(16)7-11(12)17/h6-7,9H,3-5H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid?
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid has a molecular weight of 297.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid is sourced from PubChem (CID 107175258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).