2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide

C23H21ClN2O2 — CID 113171250

IUPAC2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C23H21ClN2O2/c1-18(27)25(22-15-9-8-14-21(22)24)17-23(28)26(20-12-6-3-7-13-20)16-19-10-4-2-5-11-19/h2-15H,16-17H2,1H3
InChIKeyPLIOZVBHHKEXFS-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.93
Rot. Bonds6

About 2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide

2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide (PubChem CID 113171250) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide
PubChem CID113171250
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide
SMILESCC(=O)N(CC(=O)N(Cc1ccccc1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C23H21ClN2O2/c1-18(27)25(22-15-9-8-14-21(22)24)17-23(28)26(20-12-6-3-7-13-20)16-19-10-4-2-5-11-19/h2-15H,16-17H2,1H3
InChIKeyPLIOZVBHHKEXFS-UHFFFAOYSA-N
XLogP4.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437
2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide
CID 113181175
2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 134045987
3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
CID 113127046
N-benzyl-2-[cyanomethyl(methyl)amino]-N-phenylacetamide
CID 60617067
propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate
CID 13258029
N-benzyl-2-(2-chloroanilino)-N-phenylacetamide
CID 109008415
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide
CID 113161511
N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide
CID 87179245
methyl 3-[acetyl-[2-(N-ethylanilino)-2-oxoethyl]amino]-4-chlorobenzoate
CID 113176562
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 55358303

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide?
The IUPAC name of 2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide (CID 113171250) is 2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide.
What is the SMILES notation for 2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide?
The canonical SMILES for 2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide is CC(=O)N(CC(=O)N(Cc1ccccc1)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide?
The InChIKey is PLIOZVBHHKEXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-18(27)25(22-15-9-8-14-21(22)24)17-23(28)26(20-12-6-3-7-13-20)16-19-10-4-2-5-11-19/h2-15H,16-17H2,1H3.
What are the key properties of 2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide?
2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide has a molecular weight of 392.89 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide is sourced from PubChem (CID 113171250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).