2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide

C23H23N3O2 — CID 9105938

IUPAC2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C23H23N3O2/c1-16-12-13-20(17(2)14-16)26-22(27)15-24-21-11-7-6-10-19(21)23(28)25-18-8-4-3-5-9-18/h3-14,24H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyFHVHZRSYYCDSAF-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.61
Rot. Bonds6

About 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide

2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide (PubChem CID 9105938) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
PubChem CID9105938
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C23H23N3O2/c1-16-12-13-20(17(2)14-16)26-22(27)15-24-21-11-7-6-10-19(21)23(28)25-18-8-4-3-5-9-18/h3-14,24H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyFHVHZRSYYCDSAF-UHFFFAOYSA-N
XLogP4.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 9105774
2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106367
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106324
2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 16553153
2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]-N-phenylbenzamide
CID 9106026
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
2-(2-acetylanilino)-N-phenylacetamide
CID 9103782
2-(ethylamino)-5-methyl-N-phenylbenzamide
CID 62509479
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 26438041
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide (CID 9105938) is 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide is Cc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccccc2)c(C)c1.
What is the InChIKey of 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The InChIKey is FHVHZRSYYCDSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-12-13-20(17(2)14-16)26-22(27)15-24-21-11-7-6-10-19(21)23(28)25-18-8-4-3-5-9-18/h3-14,24H,15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide has a molecular weight of 373.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 9105938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).