2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide

C18H12Cl2N2O — CID 138396143

IUPAC2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide
SMILES[2H]N(C(=O)c1cccnc1Cl)c1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)/i/hD
InChIKeyWYEMLYFITZORAB-DYCDLGHISA-N
MW344.22 g/mol
LogP5.31
Rot. Bonds3

About 2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide

2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide (PubChem CID 138396143) has the molecular formula C18H12Cl2N2O and a molecular weight of 344.22 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide
PubChem CID138396143
Molecular FormulaC18H12Cl2N2O
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC Name2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide
SMILES[2H]N(C(=O)c1cccnc1Cl)c1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)/i/hD
InChIKeyWYEMLYFITZORAB-DYCDLGHISA-N
XLogP5.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.22
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(4-fluorophenyl)phenyl]pyridine-3-carboxamide
CID 15390136
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide
CID 2428874
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491455
(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone
CID 15135631
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-chloro-N-[(1R)-1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide
CID 7451540
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
CID 81027409
2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 14639186
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 45436123

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide (CID 138396143) is 2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide is [2H]N(C(=O)c1cccnc1Cl)c1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide?
The InChIKey is WYEMLYFITZORAB-DYCDLGHISA-N. The full InChI is InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)/i/hD.
What are the key properties of 2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide?
2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide has a molecular weight of 344.22 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-chlorophenyl)phenyl]-N-deuteriopyridine-3-carboxamide is sourced from PubChem (CID 138396143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).