N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide

C20H17ClN4O2 — CID 113035147

IUPACN-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)nc2)c1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)23-16-6-3-7-17(11-16)24-18-8-9-19(22-12-18)25-20(27)14-4-2-5-15(21)10-14/h2-12,24H,1H3,(H,23,26)(H,22,25,27)
InChIKeyGSIVGHNQLWCDPO-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.69
Rot. Bonds5

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

N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide (PubChem CID 113035147) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
PubChem CID113035147
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)nc2)c1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)23-16-6-3-7-17(11-16)24-18-8-9-19(22-12-18)25-20(27)14-4-2-5-15(21)10-14/h2-12,24H,1H3,(H,23,26)(H,22,25,27)
InChIKeyGSIVGHNQLWCDPO-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-(3-acetamidoanilino)-2-pyridinyl]benzamide
CID 113035126
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
CID 113034983
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
CID 113037181
3-acetamido-N-(5-chloro-2-pyridinyl)benzamide
CID 13177093
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide
CID 113034958
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035161
methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035276

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide?
The IUPAC name of N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide (CID 113035147) is N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide.
What is the SMILES notation for N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide?
The canonical SMILES for N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide is CC(=O)Nc1cccc(Nc2ccc(NC(=O)c3cccc(Cl)c3)nc2)c1.
What is the InChIKey of N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide?
The InChIKey is GSIVGHNQLWCDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-13(26)23-16-6-3-7-17(11-16)24-18-8-9-19(22-12-18)25-20(27)14-4-2-5-15(21)10-14/h2-12,24H,1H3,(H,23,26)(H,22,25,27).
What are the key properties of N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide?
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-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-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide is sourced from PubChem (CID 113035147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).