2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide

C24H23ClN4O3 — CID 16555132

IUPAC2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H23ClN4O3/c1-29(15-22(30)26-19-13-11-17(25)12-14-19)16-23(31)28-21-10-6-5-9-20(21)24(32)27-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,30)(H,27,32)(H,28,31)
InChIKeyAGINQPURFWWBFL-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.10
Rot. Bonds8

About 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide

2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide (PubChem CID 16555132) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
PubChem CID16555132
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H23ClN4O3/c1-29(15-22(30)26-19-13-11-17(25)12-14-19)16-23(31)28-21-10-6-5-9-20(21)24(32)27-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,30)(H,27,32)(H,28,31)
InChIKeyAGINQPURFWWBFL-UHFFFAOYSA-N
XLogP4.10
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825949
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27253562
2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide
CID 2469957
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2474016
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
N-(4-chlorophenyl)-2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]benzamide
CID 55466552
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8712443
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729554
N-(4-chlorophenyl)-2-[(2-phenylmethoxyacetyl)amino]benzamide
CID 55466370

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide (CID 16555132) is 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide is CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
The InChIKey is AGINQPURFWWBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-29(15-22(30)26-19-13-11-17(25)12-14-19)16-23(31)28-21-10-6-5-9-20(21)24(32)27-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,30)(H,27,32)(H,28,31).
What are the key properties of 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide has a molecular weight of 450.93 g/mol, XLogP of 4.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 16555132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).