(4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide

C17H13Cl2F2N3O2 — CID 162509632

IUPAC(4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C17H13Cl2F2N3O2/c18-10-5-8(1-3-12(10)20)15(9-2-4-13(21)11(19)6-9)24-16(25)14-7-22-17(26)23-14/h1-6,14-15H,7H2,(H,24,25)(H2,22,23,26)/t14-/m0/s1
InChIKeyXEYNYNVMYQSKCD-AWEZNQCLSA-N
MW400.21 g/mol
LogP3.16
Rot. Bonds4

About (4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162509632) has the molecular formula C17H13Cl2F2N3O2 and a molecular weight of 400.21 g/mol. Its IUPAC name is (4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162509632
Molecular FormulaC17H13Cl2F2N3O2
Molecular Weight400.21 g/mol
Exact Mass399.04
IUPAC Name(4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C17H13Cl2F2N3O2/c18-10-5-8(1-3-12(10)20)15(9-2-4-13(21)11(19)6-9)24-16(25)14-7-22-17(26)23-14/h1-6,14-15H,7H2,(H,24,25)(H2,22,23,26)/t14-/m0/s1
InChIKeyXEYNYNVMYQSKCD-AWEZNQCLSA-N
XLogP3.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.21
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (4S)-N-[bis(3-chloro-4-fluorophenyl)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

D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
CID 25011732
m-Chlorobenzylamide, 2
CID 44237081
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52944502
(3S)-N-[(3-chloro-4-fluorophenyl)-(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 166899009
US20230312528, Example 17A
CID 162520837
US11802122, Example 17A
CID 162520874
Pyrrolidine-1,2-dicarboxylic acid 1-benzylamide 2-(2-chloro-benzylamide)
CID 3219629
2-[3-[(4-chlorophenyl)methyl]-2-oxo-1-imidazolidinyl]-N-(4-phenylbutan-2-yl)acetamide
CID 9550157
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 9551189
N-[2-(4-Chlorophenyl)ethyl]-2-{3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-YL}acetamide
CID 15990364
2-{3-[(4-Chlorophenyl)methyl]-2-oxoimidazolidin-1-YL}-N-[2-(4-methylphenyl)ethyl]acetamide
CID 15990372
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 45142236

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 162509632) is (4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2ccc(F)c(Cl)c2)N1.
What is the InChIKey of (4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is XEYNYNVMYQSKCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H13Cl2F2N3O2/c18-10-5-8(1-3-12(10)20)15(9-2-4-13(21)11(19)6-9)24-16(25)14-7-22-17(26)23-14/h1-6,14-15H,7H2,(H,24,25)(H2,22,23,26)/t14-/m0/s1.
What are the key properties of (4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 400.21 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[bis(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162509632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).