N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide

C19H15Cl2N3O2 — CID 113022276

IUPACN-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cc(Cl)ccc3Cl)nc2)cc1
InChIInChI=1S/C19H15Cl2N3O2/c1-26-15-6-2-12(3-7-15)19(25)23-14-5-9-18(22-11-14)24-17-10-13(20)4-8-16(17)21/h2-11H,1H3,(H,22,24)(H,23,25)
InChIKeyOAQXDLFEUQDERU-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.39
Rot. Bonds5

About N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide

N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide (PubChem CID 113022276) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide
PubChem CID113022276
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC NameN-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cc(Cl)ccc3Cl)nc2)cc1
InChIInChI=1S/C19H15Cl2N3O2/c1-26-15-6-2-12(3-7-15)19(25)23-14-5-9-18(22-11-14)24-17-10-13(20)4-8-16(17)21/h2-11H,1H3,(H,22,24)(H,23,25)
InChIKeyOAQXDLFEUQDERU-UHFFFAOYSA-N
XLogP5.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,5-dichloroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113022275
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide
CID 113022233
N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113036762
N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113036697
4-chloro-N-[6-(2-chloroanilino)-3-pyridinyl]benzamide
CID 113018439
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide
CID 113017268
4-(2,5-dichloroanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109221676
N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
CID 112987245
4-chloro-N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]benzamide
CID 113018706
methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163584
N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113022258

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide?
The IUPAC name of N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide (CID 113022276) is N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3cc(Cl)ccc3Cl)nc2)cc1.
What is the InChIKey of N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide?
The InChIKey is OAQXDLFEUQDERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c1-26-15-6-2-12(3-7-15)19(25)23-14-5-9-18(22-11-14)24-17-10-13(20)4-8-16(17)21/h2-11H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide?
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide has a molecular weight of 388.25 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 113022276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).