1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C15H17F2NO3 — CID 103584581

IUPAC1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(F)c(NC(=O)CC2(C(=O)O)CCCC2)cc1F
InChIInChI=1S/C15H17F2NO3/c1-9-6-11(17)12(7-10(9)16)18-13(19)8-15(14(20)21)4-2-3-5-15/h6-7H,2-5,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyAVDMUOCUGRZOFB-UHFFFAOYSA-N
MW297.30 g/mol
LogP3.25
Rot. Bonds4

About 1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 103584581) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID103584581
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(F)c(NC(=O)CC2(C(=O)O)CCCC2)cc1F
InChIInChI=1S/C15H17F2NO3/c1-9-6-11(17)12(7-10(9)16)18-13(19)8-15(14(20)21)4-2-3-5-15/h6-7H,2-5,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyAVDMUOCUGRZOFB-UHFFFAOYSA-N
XLogP3.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexane-1-carboxylic acid
CID 24535569
1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63671026
1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 65467559
1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79041898
2-[1-[(2,5-difluoro-4-methylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 103586712
1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 56816659
1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 39965916
1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 34354093
5-(2,5-difluoro-4-methylanilino)-5-oxopentanoic acid
CID 103584588
2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108624
1-[2-(4-bromo-2-ethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 81287082
1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17420083

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 103584581) is 1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid is Cc1cc(F)c(NC(=O)CC2(C(=O)O)CCCC2)cc1F.
What is the InChIKey of 1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is AVDMUOCUGRZOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-9-6-11(17)12(7-10(9)16)18-13(19)8-15(14(20)21)4-2-3-5-15/h6-7H,2-5,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 297.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103584581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).