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

C19H15Cl2N3O2 — CID 113036762

IUPACN-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3cc(Cl)ccc3Cl)cn2)c1
InChIInChI=1S/C19H15Cl2N3O2/c1-26-15-4-2-3-12(9-15)19(25)24-18-8-6-14(11-22-18)23-17-10-13(20)5-7-16(17)21/h2-11,23H,1H3,(H,22,24,25)
InChIKeyFFBQEXHDYSJPFK-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.39
Rot. Bonds5

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

N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide (PubChem CID 113036762) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
PubChem CID113036762
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC NameN-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3cc(Cl)ccc3Cl)cn2)c1
InChIInChI=1S/C19H15Cl2N3O2/c1-26-15-4-2-3-12(9-15)19(25)24-18-8-6-14(11-22-18)23-17-10-13(20)5-7-16(17)21/h2-11,23H,1H3,(H,22,24,25)
InChIKeyFFBQEXHDYSJPFK-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-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113033566
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037429
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-4-methoxybenzamide
CID 113022276
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
3-methoxy-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034507
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113027186
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569
methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035276

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide (CID 113036762) is N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(Nc3cc(Cl)ccc3Cl)cn2)c1.
What is the InChIKey of N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide?
The InChIKey is FFBQEXHDYSJPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c1-26-15-4-2-3-12(9-15)19(25)24-18-8-6-14(11-22-18)23-17-10-13(20)5-7-16(17)21/h2-11,23H,1H3,(H,22,24,25).
What are the key properties of N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide?
N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-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-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 113036762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).