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

C18H12Cl3N3O — CID 113022233

IUPAC4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)cc2Cl)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl3N3O/c19-12-3-1-11(2-4-12)18(25)23-14-6-8-17(22-10-14)24-16-7-5-13(20)9-15(16)21/h1-10H,(H,22,24)(H,23,25)
InChIKeyBHLPLSUPIXLXPZ-UHFFFAOYSA-N
MW392.67 g/mol
LogP6.04
Rot. Bonds4

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

4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide (PubChem CID 113022233) has the molecular formula C18H12Cl3N3O and a molecular weight of 392.67 g/mol. Its IUPAC name is 4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide
PubChem CID113022233
Molecular FormulaC18H12Cl3N3O
Molecular Weight392.67 g/mol
Exact Mass391.00
IUPAC Name4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)cc2Cl)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl3N3O/c19-12-3-1-11(2-4-12)18(25)23-14-6-8-17(22-10-14)24-16-7-5-13(20)9-15(16)21/h1-10H,(H,22,24)(H,23,25)
InChIKeyBHLPLSUPIXLXPZ-UHFFFAOYSA-N
XLogP6.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide
CID 113018439
4-chloro-N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]benzamide
CID 113018706
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide
CID 113022276
1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113022247
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
3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
CID 113023072
N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113018852
2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268911
3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 113016786
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113022275
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113018688

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide (CID 113022233) is 4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide is O=C(Nc1ccc(Nc2ccc(Cl)cc2Cl)nc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide?
The InChIKey is BHLPLSUPIXLXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3N3O/c19-12-3-1-11(2-4-12)18(25)23-14-6-8-17(22-10-14)24-16-7-5-13(20)9-15(16)21/h1-10H,(H,22,24)(H,23,25).
What are the key properties of 4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide?
4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide has a molecular weight of 392.67 g/mol, XLogP of 6.04, 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-(2,4-dichloroanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113022233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).