4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide

C20H18ClN3O2 — CID 113034282

IUPAC4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide
SMILESCCOc1ccccc1Nc1ccc(NC(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C20H18ClN3O2/c1-2-26-18-6-4-3-5-17(18)23-16-11-12-19(22-13-16)24-20(25)14-7-9-15(21)10-8-14/h3-13,23H,2H2,1H3,(H,22,24,25)
InChIKeyQVWOHXZCGNOXDJ-UHFFFAOYSA-N
MW367.84 g/mol
LogP5.13
Rot. Bonds6

About 4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide

4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide (PubChem CID 113034282) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide
PubChem CID113034282
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide
SMILESCCOc1ccccc1Nc1ccc(NC(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C20H18ClN3O2/c1-2-26-18-6-4-3-5-17(18)23-16-11-12-19(22-13-16)24-20(25)14-7-9-15(21)10-8-14/h3-13,23H,2H2,1H3,(H,22,24,25)
InChIKeyQVWOHXZCGNOXDJ-UHFFFAOYSA-N
XLogP5.13
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.84
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[6-[(4-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037011
2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019614
N-[5-(2-ethoxyanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113034277
methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200002
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163500
6-(4-acetamidoanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109164130
N-(4-chlorophenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109221025
N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032411
N-[5-(4-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034337
5-(2-ethoxyanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197177
N-(3,4-dimethoxyphenyl)-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109164098
N-(2,6-difluorophenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109200015

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide (CID 113034282) is 4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide is CCOc1ccccc1Nc1ccc(NC(=O)c2ccc(Cl)cc2)nc1.
What is the InChIKey of 4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide?
The InChIKey is QVWOHXZCGNOXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-2-26-18-6-4-3-5-17(18)23-16-11-12-19(22-13-16)24-20(25)14-7-9-15(21)10-8-14/h3-13,23H,2H2,1H3,(H,22,24,25).
What are the key properties of 4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide?
4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide has a molecular weight of 367.84 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113034282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).