2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide

C13H8Cl3N3O2 — CID 2800108

IUPAC2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide
SMILESO=C(NC(=O)c1cc(Cl)cnc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl3N3O2/c14-7-1-3-9(4-2-7)18-13(21)19-12(20)10-5-8(15)6-17-11(10)16/h1-6H,(H2,18,19,20,21)
InChIKeyBUENNWZRYVZRGJ-UHFFFAOYSA-N
MW344.59 g/mol
LogP4.00
Rot. Bonds2

About 2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide

2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide (PubChem CID 2800108) has the molecular formula C13H8Cl3N3O2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide
PubChem CID2800108
Molecular FormulaC13H8Cl3N3O2
Molecular Weight344.59 g/mol
Exact Mass342.97
IUPAC Name2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide
SMILESO=C(NC(=O)c1cc(Cl)cnc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl3N3O2/c14-7-1-3-9(4-2-7)18-13(21)19-12(20)10-5-8(15)6-17-11(10)16/h1-6H,(H2,18,19,20,21)
InChIKeyBUENNWZRYVZRGJ-UHFFFAOYSA-N
XLogP4.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.59
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide
CID 21325138
N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide
CID 53439408
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2800027
N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide
CID 19072887
2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 13254511
1-(4-chlorophenyl)-3-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]urea
CID 108781467
2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87757105
1-(3,5-dichloro-2-pyridinyl)-3-phenylurea
CID 27161092
sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate
CID 102504156
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
CID 59781136

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide (CID 2800108) is 2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide is O=C(NC(=O)c1cc(Cl)cnc1Cl)Nc1ccc(Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide?
The InChIKey is BUENNWZRYVZRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3O2/c14-7-1-3-9(4-2-7)18-13(21)19-12(20)10-5-8(15)6-17-11(10)16/h1-6H,(H2,18,19,20,21).
What are the key properties of 2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide?
2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide has a molecular weight of 344.59 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide is sourced from PubChem (CID 2800108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).