2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide

C17H17ClN2O2 — CID 113167096

IUPAC2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-13(21)20(15-8-3-2-4-9-15)12-17(22)19-11-14-7-5-6-10-16(14)18/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyIVRHZIQBBCPFKC-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.01
Rot. Bonds5

About 2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide

2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 113167096) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID113167096
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-13(21)20(15-8-3-2-4-9-15)12-17(22)19-11-14-7-5-6-10-16(14)18/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyIVRHZIQBBCPFKC-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide
CID 113175577
2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113170122
methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 113176222
2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167289
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113172670
3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea
CID 108897659
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113181772
2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113175570
N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide
CID 113130651
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820582
2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 79263016
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113162165

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide (CID 113167096) is 2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is IVRHZIQBBCPFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-13(21)20(15-8-3-2-4-9-15)12-17(22)19-11-14-7-5-6-10-16(14)18/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of 2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide?
2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 316.79 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 113167096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).