N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide

C23H21ClN2O2 — CID 26162876

IUPACN-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H21ClN2O2/c1-26(16-18-6-3-2-4-7-18)23(28)19-8-5-9-21(15-19)25-22(27)14-17-10-12-20(24)13-11-17/h2-13,15H,14,16H2,1H3,(H,25,27)
InChIKeyODZBJYNXGAYVAB-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.79
Rot. Bonds6

About N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide

N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide (PubChem CID 26162876) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
PubChem CID26162876
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC NameN-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H21ClN2O2/c1-26(16-18-6-3-2-4-7-18)23(28)19-8-5-9-21(15-19)25-22(27)14-17-10-12-20(24)13-11-17/h2-13,15H,14,16H2,1H3,(H,25,27)
InChIKeyODZBJYNXGAYVAB-UHFFFAOYSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54813258
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
3-N-benzyl-1-N-(4-chlorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054551
N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide
CID 54813861
N-benzyl-N-methyl-3-[(2-phenoxyacetyl)amino]benzamide
CID 26162773
N-benzyl-3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-methylbenzamide
CID 54816242
N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54816093
N-benzyl-3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842189
3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 27795286
N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide
CID 54808952
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide?
The IUPAC name of N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide (CID 26162876) is N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide?
The InChIKey is ODZBJYNXGAYVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-26(16-18-6-3-2-4-7-18)23(28)19-8-5-9-21(15-19)25-22(27)14-17-10-12-20(24)13-11-17/h2-13,15H,14,16H2,1H3,(H,25,27).
What are the key properties of N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide?
N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide has a molecular weight of 392.89 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 26162876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).