2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide

C30H31F3N2O2 — CID 68751327

IUPAC2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide
SMILESO=C(Nc1cccc(CC2CC2)c1)C(c1ccc(Cn2cccc(C(F)(F)F)c2=O)cc1)C1CCCC1
InChIInChI=1S/C30H31F3N2O2/c31-30(32,33)26-9-4-16-35(29(26)37)19-21-12-14-24(15-13-21)27(23-6-1-2-7-23)28(36)34-25-8-3-5-22(18-25)17-20-10-11-20/h3-5,8-9,12-16,18,20,23,27H,1-2,6-7,10-11,17,19H2,(H,34,36)
InChIKeyGKLMNDQDWWHSMO-UHFFFAOYSA-N
MW508.58 g/mol
LogP6.78
Rot. Bonds8

About 2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide

2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide (PubChem CID 68751327) has the molecular formula C30H31F3N2O2 and a molecular weight of 508.58 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide
PubChem CID68751327
Molecular FormulaC30H31F3N2O2
Molecular Weight508.58 g/mol
Exact Mass508.23
IUPAC Name2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide
SMILESO=C(Nc1cccc(CC2CC2)c1)C(c1ccc(Cn2cccc(C(F)(F)F)c2=O)cc1)C1CCCC1
InChIInChI=1S/C30H31F3N2O2/c31-30(32,33)26-9-4-16-35(29(26)37)19-21-12-14-24(15-13-21)27(23-6-1-2-7-23)28(36)34-25-8-3-5-22(18-25)17-20-10-11-20/h3-5,8-9,12-16,18,20,23,27H,1-2,6-7,10-11,17,19H2,(H,34,36)
InChIKeyGKLMNDQDWWHSMO-UHFFFAOYSA-N
XLogP6.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide 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

2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 118091125
carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide
CID 68752735
(2S)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 118091164
tert-butyl 1-[[3-[[2-cyclopentyl-2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetyl]amino]phenyl]methyl]cyclopropane-1-carboxylate
CID 58136355
tert-butyl 3-[3-[[(2S)-2-cyclopentyl-2-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetyl]amino]phenyl]propanoate
CID 58136427
1-[[3-[[(2S)-2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 57344330
carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide
CID 118091048
N-[3-(cyclopropylmethyl)phenyl]-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanamide
CID 67957766
[3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate
CID 174698422
1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 154837682
3-[[2-[4-[[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]methyl]phenyl]-2-cyclopentylacetyl]amino]benzoic acid
CID 58136730
N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide
CID 2796967

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide (CID 68751327) is 2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide is O=C(Nc1cccc(CC2CC2)c1)C(c1ccc(Cn2cccc(C(F)(F)F)c2=O)cc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide?
The InChIKey is GKLMNDQDWWHSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N2O2/c31-30(32,33)26-9-4-16-35(29(26)37)19-21-12-14-24(15-13-21)27(23-6-1-2-7-23)28(36)34-25-8-3-5-22(18-25)17-20-10-11-20/h3-5,8-9,12-16,18,20,23,27H,1-2,6-7,10-11,17,19H2,(H,34,36).
What are the key properties of 2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide?
2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide has a molecular weight of 508.58 g/mol, XLogP of 6.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide is sourced from PubChem (CID 68751327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).