2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide

C18H21ClN2O — CID 2657408

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN(C)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O/c1-13-8-14(2)10-17(9-13)20-18(22)12-21(3)11-15-4-6-16(19)7-5-15/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyUVNYGSTWDZXILA-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.03
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide

2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 2657408) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
PubChem CID2657408
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN(C)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O/c1-13-8-14(2)10-17(9-13)20-18(22)12-21(3)11-15-4-6-16(19)7-5-15/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyUVNYGSTWDZXILA-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 27222414
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 9023931
methyl 4-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9041063
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
dimethyl 5-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]benzene-1,3-dicarboxylate
CID 27218385
N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide
CID 8540470
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
CID 43458291
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 9024530

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide (CID 2657408) is 2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CN(C)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is UVNYGSTWDZXILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13-8-14(2)10-17(9-13)20-18(22)12-21(3)11-15-4-6-16(19)7-5-15/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide?
2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 316.83 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 2657408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).