N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide

C17H17ClN2O2 — CID 108998163

IUPACN-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CNCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12(21)14-3-2-4-16(9-14)20-17(22)11-19-10-13-5-7-15(18)8-6-13/h2-9,19H,10-11H2,1H3,(H,20,22)
InChIKeySRRHCZMITPEGOE-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.27
Rot. Bonds6

About N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide

N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide (PubChem CID 108998163) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
PubChem CID108998163
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CNCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12(21)14-3-2-4-16(9-14)20-17(22)11-19-10-13-5-7-15(18)8-6-13/h2-9,19H,10-11H2,1H3,(H,20,22)
InChIKeySRRHCZMITPEGOE-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220931
2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108998161
N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998147
N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998182
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109190131
N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908291
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 1234677
N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985815
N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide
CID 110923541

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide (CID 108998163) is N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide is CC(=O)c1cccc(NC(=O)CNCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide?
The InChIKey is SRRHCZMITPEGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12(21)14-3-2-4-16(9-14)20-17(22)11-19-10-13-5-7-15(18)8-6-13/h2-9,19H,10-11H2,1H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide?
N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide has a molecular weight of 316.79 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide is sourced from PubChem (CID 108998163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).