1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C15H15ClF3NO3 — CID 17479149

IUPAC1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H15ClF3NO3/c16-10-4-3-9(15(17,18)19)7-11(10)20-12(21)8-14(13(22)23)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,20,21)(H,22,23)
InChIKeyZEPOSZBVVLRDHG-UHFFFAOYSA-N
MW349.74 g/mol
LogP4.33
Rot. Bonds4

About 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 17479149) has the molecular formula C15H15ClF3NO3 and a molecular weight of 349.74 g/mol. Its IUPAC name is 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID17479149
Molecular FormulaC15H15ClF3NO3
Molecular Weight349.74 g/mol
Exact Mass349.07
IUPAC Name1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H15ClF3NO3/c16-10-4-3-9(15(17,18)19)7-11(10)20-12(21)8-14(13(22)23)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,20,21)(H,22,23)
InChIKeyZEPOSZBVVLRDHG-UHFFFAOYSA-N
XLogP4.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.74
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-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

N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 722242
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate
CID 7407565
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6467108
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyanocyclopropane-1-carboxamide
CID 80599070
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 17154442
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide
CID 108956408
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpropanediamide
CID 108941307
cis-(1S,2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 819921
2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2162964

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 17479149) is 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZEPOSZBVVLRDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3NO3/c16-10-4-3-9(15(17,18)19)7-11(10)20-12(21)8-14(13(22)23)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,20,21)(H,22,23).
What are the key properties of 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 349.74 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 17479149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).