(4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide

C18H15Cl2F2N3O3 — CID 162509714

IUPAC(4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(COc2ccc(F)c(Cl)c2)c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C18H15Cl2F2N3O3/c19-11-5-9(1-3-13(11)21)16(24-17(26)15-7-23-18(27)25-15)8-28-10-2-4-14(22)12(20)6-10/h1-6,15-16H,7-8H2,(H,24,26)(H2,23,25,27)/t15-,16?/m0/s1
InChIKeyCXEMBFPLJOZLPO-VYRBHSGPSA-N
MW430.24 g/mol
LogP3.19
Rot. Bonds6

About (4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162509714) has the molecular formula C18H15Cl2F2N3O3 and a molecular weight of 430.24 g/mol. Its IUPAC name is (4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162509714
Molecular FormulaC18H15Cl2F2N3O3
Molecular Weight430.24 g/mol
Exact Mass429.05
IUPAC Name(4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(COc2ccc(F)c(Cl)c2)c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C18H15Cl2F2N3O3/c19-11-5-9(1-3-13(11)21)16(24-17(26)15-7-23-18(27)25-15)8-28-10-2-4-14(22)12(20)6-10/h1-6,15-16H,7-8H2,(H,24,26)(H2,23,25,27)/t15-,16?/m0/s1
InChIKeyCXEMBFPLJOZLPO-VYRBHSGPSA-N
XLogP3.19
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.24
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[3-(3-chloro-4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]butanoyl]imidazolidin-2-one
CID 163611458
N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509760
(4S)-N-[(S)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520848
(4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417242
(4S)-N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 97081299
(4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 97063485
(4S)-N-[(S)-1,3-benzothiazol-2-yl-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520888
N-[(S)-1,3-benzothiazol-2-yl-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417212
(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide
CID 167527852
(4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520836
N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417256
(4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520756

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide (CID 162509714) is (4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NC(COc2ccc(F)c(Cl)c2)c2ccc(F)c(Cl)c2)N1.
What is the InChIKey of (4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is CXEMBFPLJOZLPO-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H15Cl2F2N3O3/c19-11-5-9(1-3-13(11)21)16(24-17(26)15-7-23-18(27)25-15)8-28-10-2-4-14(22)12(20)6-10/h1-6,15-16H,7-8H2,(H,24,26)(H2,23,25,27)/t15-,16?/m0/s1.
What are the key properties of (4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 430.24 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162509714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).