(4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide

C17H13ClF4N4O2 — CID 162520836

IUPAC(4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)c2cc(C(F)(F)F)c(F)cn2)N1
InChIInChI=1S/C17H13ClF4N4O2/c18-9-3-1-8(2-4-9)14(26-15(27)13-7-24-16(28)25-13)12-5-10(17(20,21)22)11(19)6-23-12/h1-6,13-14H,7H2,(H,26,27)(H2,24,25,28)/t13-,14+/m0/s1
InChIKeyGEDMPHNDCRCTJM-UONOGXRCSA-N
MW416.76 g/mol
LogP2.78
Rot. Bonds4

About (4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520836) has the molecular formula C17H13ClF4N4O2 and a molecular weight of 416.76 g/mol. Its IUPAC name is (4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520836
Molecular FormulaC17H13ClF4N4O2
Molecular Weight416.76 g/mol
Exact Mass416.07
IUPAC Name(4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)c2cc(C(F)(F)F)c(F)cn2)N1
InChIInChI=1S/C17H13ClF4N4O2/c18-9-3-1-8(2-4-9)14(26-15(27)13-7-24-16(28)25-13)12-5-10(17(20,21)22)11(19)6-23-12/h1-6,13-14H,7H2,(H,26,27)(H2,24,25,28)/t13-,14+/m0/s1
InChIKeyGEDMPHNDCRCTJM-UONOGXRCSA-N
XLogP2.78
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.76
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide 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

(4S)-N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 97081299
(4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520883
N-[(R)-(3-chloro-2,4-difluorophenyl)-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417227
N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417223
N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417175
(4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417242
(4S)-N-[(R)-(3-chloro-2,4-difluorophenyl)-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520879
(4S)-N-[(S)-(4-chlorophenyl)-pyrazolo[1,5-a]pyridin-5-ylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 162520803
2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide
CID 166905151
N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417158
N-[(S)-1,3-benzothiazol-2-yl-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417212
(4S)-N-[(S)-1,3-benzothiazol-2-yl-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520888

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520836) is (4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)c2cc(C(F)(F)F)c(F)cn2)N1.
What is the InChIKey of (4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is GEDMPHNDCRCTJM-UONOGXRCSA-N. The full InChI is InChI=1S/C17H13ClF4N4O2/c18-9-3-1-8(2-4-9)14(26-15(27)13-7-24-16(28)25-13)12-5-10(17(20,21)22)11(19)6-23-12/h1-6,13-14H,7H2,(H,26,27)(H2,24,25,28)/t13-,14+/m0/s1.
What are the key properties of (4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 416.76 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).