(4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

C19H14ClF3N4O3 — CID 162520786

IUPAC(4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESN#Cc1cc([C@H](NC(=O)[C@@H]2CNC(=O)N2)c2ccc(OC(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C19H14ClF3N4O3/c20-14-6-3-11(7-12(14)8-24)16(27-17(28)15-9-25-18(29)26-15)10-1-4-13(5-2-10)30-19(21,22)23/h1-7,15-16H,9H2,(H,27,28)(H2,25,26,29)/t15-,16+/m0/s1
InChIKeyQEPBHTRFWCUOCU-JKSUJKDBSA-N
MW438.79 g/mol
LogP3.00
Rot. Bonds5

About (4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520786) has the molecular formula C19H14ClF3N4O3 and a molecular weight of 438.79 g/mol. Its IUPAC name is (4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520786
Molecular FormulaC19H14ClF3N4O3
Molecular Weight438.79 g/mol
Exact Mass438.07
IUPAC Name(4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESN#Cc1cc([C@H](NC(=O)[C@@H]2CNC(=O)N2)c2ccc(OC(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C19H14ClF3N4O3/c20-14-6-3-11(7-12(14)8-24)16(27-17(28)15-9-25-18(29)26-15)10-1-4-13(5-2-10)30-19(21,22)23/h1-7,15-16H,9H2,(H,27,28)(H2,25,26,29)/t15-,16+/m0/s1
InChIKeyQEPBHTRFWCUOCU-JKSUJKDBSA-N
XLogP3.00
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.79
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide with MolForge

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Related Compounds

(4S)-N-[(S)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520881
(4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 97063485
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
N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417158
(4S)-N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 97081299
(3S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 167436537
(4S)-N-[(R)-(3-chloro-2,4-difluorophenyl)-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520879
(4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520836
(4S)-N-[(S)-(4-chlorophenyl)-pyrazolo[1,5-a]pyridin-5-ylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 162520803
(4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 162509714
(4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide
CID 97070023

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520786) is (4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is N#Cc1cc([C@H](NC(=O)[C@@H]2CNC(=O)N2)c2ccc(OC(F)(F)F)cc2)ccc1Cl.
What is the InChIKey of (4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is QEPBHTRFWCUOCU-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H14ClF3N4O3/c20-14-6-3-11(7-12(14)8-24)16(27-17(28)15-9-25-18(29)26-15)10-1-4-13(5-2-10)30-19(21,22)23/h1-7,15-16H,9H2,(H,27,28)(H2,25,26,29)/t15-,16+/m0/s1.
What are the key properties of (4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 438.79 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).