(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide

C19H17Cl2F2N3O2 — CID 167527862

IUPAC(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](CCc2ccc(Cl)cc2)c2ccc(F)c(Cl)c2F)N1
InChIInChI=1S/C19H17Cl2F2N3O2/c20-11-4-1-10(2-5-11)3-8-14(12-6-7-13(22)16(21)17(12)23)25-18(27)15-9-24-19(28)26-15/h1-2,4-7,14-15H,3,8-9H2,(H,25,27)(H2,24,26,28)/t14-,15-/m0/s1
InChIKeyYWHIPXAQXYIXSS-GJZGRUSLSA-N
MW428.27 g/mol
LogP3.74
Rot. Bonds6

About (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 167527862) has the molecular formula C19H17Cl2F2N3O2 and a molecular weight of 428.27 g/mol. Its IUPAC name is (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID167527862
Molecular FormulaC19H17Cl2F2N3O2
Molecular Weight428.27 g/mol
Exact Mass427.07
IUPAC Name(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](CCc2ccc(Cl)cc2)c2ccc(F)c(Cl)c2F)N1
InChIInChI=1S/C19H17Cl2F2N3O2/c20-11-4-1-10(2-5-11)3-8-14(12-6-7-13(22)16(21)17(12)23)25-18(27)15-9-24-19(28)26-15/h1-2,4-7,14-15H,3,8-9H2,(H,25,27)(H2,24,26,28)/t14-,15-/m0/s1
InChIKeyYWHIPXAQXYIXSS-GJZGRUSLSA-N
XLogP3.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.27
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide (CID 167527862) is (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)N[C@@H](CCc2ccc(Cl)cc2)c2ccc(F)c(Cl)c2F)N1.
What is the InChIKey of (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is YWHIPXAQXYIXSS-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H17Cl2F2N3O2/c20-11-4-1-10(2-5-11)3-8-14(12-6-7-13(22)16(21)17(12)23)25-18(27)15-9-24-19(28)26-15/h1-2,4-7,14-15H,3,8-9H2,(H,25,27)(H2,24,26,28)/t14-,15-/m0/s1.
What are the key properties of (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 428.27 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 167527862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).