(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

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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).