N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide

C20H16ClN3O2 — CID 113020334

IUPACN-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3ccccc3Cl)cn2)c1
InChIInChI=1S/C20H16ClN3O2/c1-13(25)14-5-4-6-15(11-14)23-19-10-9-16(12-22-19)24-20(26)17-7-2-3-8-18(17)21/h2-12H,1H3,(H,22,23)(H,24,26)
InChIKeyGRLPYBCAMPPBPY-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.93
Rot. Bonds5

About N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide

N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide (PubChem CID 113020334) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide
PubChem CID113020334
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC NameN-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3ccccc3Cl)cn2)c1
InChIInChI=1S/C20H16ClN3O2/c1-13(25)14-5-4-6-15(11-14)23-19-10-9-16(12-22-19)24-20(26)17-7-2-3-8-18(17)21/h2-12H,1H3,(H,22,23)(H,24,26)
InChIKeyGRLPYBCAMPPBPY-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-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113020316
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020563
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035339
N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
CID 113034983
N-(5-acetamido-2-pyridinyl)-2-chlorobenzamide
CID 1449171
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109156880
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
N-[6-(3-acetylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113020338
N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide
CID 113020395
2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide
CID 113023141
6-(4-acetylanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109163447

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide?
The IUPAC name of N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide (CID 113020334) is N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide.
What is the SMILES notation for N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide?
The canonical SMILES for N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide is CC(=O)c1cccc(Nc2ccc(NC(=O)c3ccccc3Cl)cn2)c1.
What is the InChIKey of N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide?
The InChIKey is GRLPYBCAMPPBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-13(25)14-5-4-6-15(11-14)23-19-10-9-16(12-22-19)24-20(26)17-7-2-3-8-18(17)21/h2-12H,1H3,(H,22,23)(H,24,26).
What are the key properties of N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide?
N-[6-(3-acetylanilino)-3-pyridinyl]-2-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-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide is sourced from PubChem (CID 113020334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).