N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide

C20H16ClN3O2 — CID 113034983

IUPACN-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)nc2)c1
InChIInChI=1S/C20H16ClN3O2/c1-13(25)15-3-2-4-17(11-15)23-18-9-10-19(22-12-18)24-20(26)14-5-7-16(21)8-6-14/h2-12,23H,1H3,(H,22,24,26)
InChIKeyJUCQGDMDQIGYJU-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.93
Rot. Bonds5

About N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide

N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide (PubChem CID 113034983) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
PubChem CID113034983
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC NameN-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)nc2)c1
InChIInChI=1S/C20H16ClN3O2/c1-13(25)15-3-2-4-17(11-15)23-18-9-10-19(22-12-18)24-20(26)14-5-7-16(21)8-6-14/h2-12,23H,1H3,(H,22,24,26)
InChIKeyJUCQGDMDQIGYJU-UHFFFAOYSA-N
XLogP4.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide
CID 113034958
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147
N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide
CID 113035126
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
3-acetamido-N-(5-chloro-2-pyridinyl)benzamide
CID 13177093
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
3-benzamido-N-(5-chloro-2-pyridinyl)benzamide
CID 3929829
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020334
2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109177507
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide?
The IUPAC name of N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide (CID 113034983) is N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide.
What is the SMILES notation for N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide?
The canonical SMILES for N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide is CC(=O)c1cccc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)nc2)c1.
What is the InChIKey of N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide?
The InChIKey is JUCQGDMDQIGYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-13(25)15-3-2-4-17(11-15)23-18-9-10-19(22-12-18)24-20(26)14-5-7-16(21)8-6-14/h2-12,23H,1H3,(H,22,24,26).
What are the key properties of N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide?
N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide has a molecular weight of 365.82 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide is sourced from PubChem (CID 113034983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).