4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide

C18H13Cl2N3O — CID 113018439

IUPAC4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2Cl)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2N3O/c19-13-7-5-12(6-8-13)18(24)22-14-9-10-17(21-11-14)23-16-4-2-1-3-15(16)20/h1-11H,(H,21,23)(H,22,24)
InChIKeyXLWBKAPQLGKRCE-UHFFFAOYSA-N
MW358.23 g/mol
LogP5.38
Rot. Bonds4

About 4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide

4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide (PubChem CID 113018439) has the molecular formula C18H13Cl2N3O and a molecular weight of 358.23 g/mol. Its IUPAC name is 4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide
PubChem CID113018439
Molecular FormulaC18H13Cl2N3O
Molecular Weight358.23 g/mol
Exact Mass357.04
IUPAC Name4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2Cl)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2N3O/c19-13-7-5-12(6-8-13)18(24)22-14-9-10-17(21-11-14)23-16-4-2-1-3-15(16)20/h1-11H,(H,21,23)(H,22,24)
InChIKeyXLWBKAPQLGKRCE-UHFFFAOYSA-N
XLogP5.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.23
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]benzamide
CID 113018706
4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide
CID 113022233
4-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017755
4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide
CID 113021752
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163500
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113018688
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide
CID 113022276
N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113022429
4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034282
6-(2-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109163334
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113033223

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide (CID 113018439) is 4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide is O=C(Nc1ccc(Nc2ccccc2Cl)nc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide?
The InChIKey is XLWBKAPQLGKRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O/c19-13-7-5-12(6-8-13)18(24)22-14-9-10-17(21-11-14)23-16-4-2-1-3-15(16)20/h1-11H,(H,21,23)(H,22,24).
What are the key properties of 4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide?
4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide has a molecular weight of 358.23 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113018439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).