(4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide

C17H15ClF2N4O3 — CID 162520763

IUPAC(4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(OC(F)F)n2)N1
InChIInChI=1S/C17H15ClF2N4O3/c18-10-6-4-9(5-7-10)14(24-15(25)12-8-21-17(26)23-12)11-2-1-3-13(22-11)27-16(19)20/h1-7,12,14,16H,8H2,(H,24,25)(H2,21,23,26)/t12-,14-/m0/s1
InChIKeySREAZVMYSTWFHZ-JSGCOSHPSA-N
MW396.78 g/mol
LogP2.22
Rot. Bonds6

About (4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520763) has the molecular formula C17H15ClF2N4O3 and a molecular weight of 396.78 g/mol. Its IUPAC name is (4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520763
Molecular FormulaC17H15ClF2N4O3
Molecular Weight396.78 g/mol
Exact Mass396.08
IUPAC Name(4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(OC(F)F)n2)N1
InChIInChI=1S/C17H15ClF2N4O3/c18-10-6-4-9(5-7-10)14(24-15(25)12-8-21-17(26)23-12)11-2-1-3-13(22-11)27-16(19)20/h1-7,12,14,16H,8H2,(H,24,25)(H2,21,23,26)/t12-,14-/m0/s1
InChIKeySREAZVMYSTWFHZ-JSGCOSHPSA-N
XLogP2.22
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.78
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520763) is (4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(OC(F)F)n2)N1.
What is the InChIKey of (4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is SREAZVMYSTWFHZ-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H15ClF2N4O3/c18-10-6-4-9(5-7-10)14(24-15(25)12-8-21-17(26)23-12)11-2-1-3-13(22-11)27-16(19)20/h1-7,12,14,16H,8H2,(H,24,25)(H2,21,23,26)/t12-,14-/m0/s1.
What are the key properties of (4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 396.78 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(S)-(4-chlorophenyl)-[6-(difluoromethoxy)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).