2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide

C16H16Cl2N2O — CID 60939480

IUPAC2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-20(10-12-4-5-13(17)9-15(12)18)16(21)8-11-2-6-14(19)7-3-11/h2-7,9H,8,10,19H2,1H3
InChIKeyVADGHCHBMJPQBC-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.78
Rot. Bonds4

About 2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide

2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 60939480) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID60939480
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-20(10-12-4-5-13(17)9-15(12)18)16(21)8-11-2-6-14(19)7-3-11/h2-7,9H,8,10,19H2,1H3
InChIKeyVADGHCHBMJPQBC-UHFFFAOYSA-N
XLogP3.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 61116906
3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 94697067
2-(4-aminophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119682696
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9091215
3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide
CID 81086606
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 61117836
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dichlorophenyl)-N-methylacetamide
CID 27863700
3-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 100607664
2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60683217

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide (CID 60939480) is 2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is VADGHCHBMJPQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-20(10-12-4-5-13(17)9-15(12)18)16(21)8-11-2-6-14(19)7-3-11/h2-7,9H,8,10,19H2,1H3.
What are the key properties of 2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 323.22 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 60939480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).