2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide

C18H19ClN2O2 — CID 113162054

IUPAC2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Cl)cc1)C(C)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-13(15-6-4-3-5-7-15)21(14(2)22)12-18(23)20-17-10-8-16(19)9-11-17/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyBCPPFIOOFGKLJS-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.89
Rot. Bonds5

About 2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide

2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide (PubChem CID 113162054) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide
PubChem CID113162054
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Cl)cc1)C(C)c1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-13(15-6-4-3-5-7-15)21(14(2)22)12-18(23)20-17-10-8-16(19)9-11-17/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKeyBCPPFIOOFGKLJS-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(1-phenylethyl)amino]-N-(3,5-dichlorophenyl)acetamide
CID 113162117
2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113162089
2-[acetyl(1-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113162035
2-[acetyl(1-phenylethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113162118
2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113162094
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113162045
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 9348120
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940
2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
CID 113161938
3-[acetyl(1-phenylethyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113119048
2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113162087

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide (CID 113162054) is 2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(Cl)cc1)C(C)c1ccccc1.
What is the InChIKey of 2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide?
The InChIKey is BCPPFIOOFGKLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13(15-6-4-3-5-7-15)21(14(2)22)12-18(23)20-17-10-8-16(19)9-11-17/h3-11,13H,12H2,1-2H3,(H,20,23).
What are the key properties of 2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide?
2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113162054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).