2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid

C14H15F2NO3 — CID 82760834

IUPAC2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H15F2NO3/c1-14(13(19)20)4-2-3-11(14)17-12(18)8-5-9(15)7-10(16)6-8/h5-7,11H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyJQZNPWIILDKVCK-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.34
Rot. Bonds3

About 2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82760834) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82760834
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H15F2NO3/c1-14(13(19)20)4-2-3-11(14)17-12(18)8-5-9(15)7-10(16)6-8/h5-7,11H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyJQZNPWIILDKVCK-UHFFFAOYSA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107702822
2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211631
2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760189
2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759798
2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83209773
2-[(5-bromothiophene-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760095
2-[(3-fluoro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764542
2-[(4-chloro-2,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82772593
2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763308
2-[(5-fluoro-2-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211407
2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 107368667
2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760270

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82760834) is 2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is JQZNPWIILDKVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-14(13(19)20)4-2-3-11(14)17-12(18)8-5-9(15)7-10(16)6-8/h5-7,11H,2-4H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 283.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82760834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).