N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide

C18H20ClNO — CID 100559271

IUPACN-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H20ClNO/c1-13-4-7-16(14(2)10-13)11-18(21)20(3)12-15-5-8-17(19)9-6-15/h4-10H,11-12H2,1-3H3
InChIKeyJTOQKBAPONLSIR-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.16
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide

N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide (PubChem CID 100559271) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide
PubChem CID100559271
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H20ClNO/c1-13-4-7-16(14(2)10-13)11-18(21)20(3)12-15-5-8-17(19)9-6-15/h4-10H,11-12H2,1-3H3
InChIKeyJTOQKBAPONLSIR-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
3-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 100607664
4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 9227980
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7604075
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
CID 112790205
2-chloro-N-methyl-N-[(6-methylnaphthalen-2-yl)methyl]acetamide
CID 115162099

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide (CID 100559271) is N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide is Cc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide?
The InChIKey is JTOQKBAPONLSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-13-4-7-16(14(2)10-13)11-18(21)20(3)12-15-5-8-17(19)9-6-15/h4-10H,11-12H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide?
N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide has a molecular weight of 301.82 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 100559271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).