N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide

C20H17ClN4O2 — CID 113020563

IUPACN-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccccc3Cl)cn2)cc1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)23-14-6-8-15(9-7-14)24-19-11-10-16(12-22-19)25-20(27)17-4-2-3-5-18(17)21/h2-12H,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyUFDQSBMCHKDLJO-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.69
Rot. Bonds5

About N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide

N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide (PubChem CID 113020563) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
PubChem CID113020563
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccccc3Cl)cn2)cc1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)23-14-6-8-15(9-7-14)24-19-11-10-16(12-22-19)25-20(27)17-4-2-3-5-18(17)21/h2-12H,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyUFDQSBMCHKDLJO-UHFFFAOYSA-N
XLogP4.69
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-pyridinyl)-2-chlorobenzamide
CID 1449171
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020334
2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide
CID 113023141
N-(6-anilino-3-pyridinyl)-2-hydroxybenzamide
CID 110176412
N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide
CID 113020395
ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022610
N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113022429
N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide
CID 113019208
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
2-chloro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122315780
2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015233

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide?
The IUPAC name of N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide (CID 113020563) is N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide.
What is the SMILES notation for N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide?
The canonical SMILES for N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide is CC(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccccc3Cl)cn2)cc1.
What is the InChIKey of N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide?
The InChIKey is UFDQSBMCHKDLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-13(26)23-14-6-8-15(9-7-14)24-19-11-10-16(12-22-19)25-20(27)17-4-2-3-5-18(17)21/h2-12H,1H3,(H,22,24)(H,23,26)(H,25,27).
What are the key properties of N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide?
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide has a molecular weight of 380.84 g/mol, XLogP of 4.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide is sourced from PubChem (CID 113020563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).