2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide

C23H20ClN3O3 — CID 18228642

IUPAC2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide
SMILESCC(=O)c1cccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20ClN3O3/c1-15(28)16-5-4-6-19(13-16)26-22(29)14-25-21-8-3-2-7-20(21)23(30)27-18-11-9-17(24)10-12-18/h2-13,25H,14H2,1H3,(H,26,29)(H,27,30)
InChIKeyAKTSTOKOHVHKMI-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.85
Rot. Bonds7

About 2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide

2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide (PubChem CID 18228642) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is 2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide
PubChem CID18228642
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC Name2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide
SMILESCC(=O)c1cccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20ClN3O3/c1-15(28)16-5-4-6-19(13-16)26-22(29)14-25-21-8-3-2-7-20(21)23(30)27-18-11-9-17(24)10-12-18/h2-13,25H,14H2,1H3,(H,26,29)(H,27,30)
InChIKeyAKTSTOKOHVHKMI-UHFFFAOYSA-N
XLogP4.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-(2-acetylanilino)-N-phenylacetamide
CID 9103782
N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069766
N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
CID 54810283
2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 16553153
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9104019
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide?
The IUPAC name of 2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide (CID 18228642) is 2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide.
What is the SMILES notation for 2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide?
The canonical SMILES for 2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide is CC(=O)c1cccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide?
The InChIKey is AKTSTOKOHVHKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-15(28)16-5-4-6-19(13-16)26-22(29)14-25-21-8-3-2-7-20(21)23(30)27-18-11-9-17(24)10-12-18/h2-13,25H,14H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide?
2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide has a molecular weight of 421.88 g/mol, XLogP of 4.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide is sourced from PubChem (CID 18228642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).