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

C19H15Cl2N3O2 — CID 113036697

IUPACN-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(Cl)c(Cl)c3)cn2)cc1
InChIInChI=1S/C19H15Cl2N3O2/c1-26-15-6-2-12(3-7-15)19(25)24-18-9-5-14(11-22-18)23-13-4-8-16(20)17(21)10-13/h2-11,23H,1H3,(H,22,24,25)
InChIKeyLEUKJTJYSNOQIY-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.39
Rot. Bonds5

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

N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide (PubChem CID 113036697) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide
PubChem CID113036697
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC NameN-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(Cl)c(Cl)c3)cn2)cc1
InChIInChI=1S/C19H15Cl2N3O2/c1-26-15-6-2-12(3-7-15)19(25)24-18-9-5-14(11-22-18)23-13-4-8-16(20)17(21)10-13/h2-11,23H,1H3,(H,22,24,25)
InChIKeyLEUKJTJYSNOQIY-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-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide
CID 113036150
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide
CID 113022276
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032033
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
5-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293597
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113047832
2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178053
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755
4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037430

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide?
The IUPAC name of N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide (CID 113036697) is N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccc(Cl)c(Cl)c3)cn2)cc1.
What is the InChIKey of N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide?
The InChIKey is LEUKJTJYSNOQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c1-26-15-6-2-12(3-7-15)19(25)24-18-9-5-14(11-22-18)23-13-4-8-16(20)17(21)10-13/h2-11,23H,1H3,(H,22,24,25).
What are the key properties of N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide?
N-[5-(3,4-dichloroanilino)-2-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-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 113036697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).