N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide

C16H14Cl3NO — CID 112792374

IUPACN-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl3NO/c1-20(10-12-3-2-4-13(17)7-12)16(21)9-11-5-6-14(18)15(19)8-11/h2-8H,9-10H2,1H3
InChIKeyHXOQJRVRAWGSKF-UHFFFAOYSA-N
MW342.65 g/mol
LogP4.85
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide

N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide (PubChem CID 112792374) has the molecular formula C16H14Cl3NO and a molecular weight of 342.65 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
PubChem CID112792374
Molecular FormulaC16H14Cl3NO
Molecular Weight342.65 g/mol
Exact Mass341.01
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl3NO/c1-20(10-12-3-2-4-13(17)7-12)16(21)9-11-5-6-14(18)15(19)8-11/h2-8H,9-10H2,1H3
InChIKeyHXOQJRVRAWGSKF-UHFFFAOYSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.65
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 61117260
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 43010406
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64510602
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725
3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 64685066
N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
CID 78790869
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3-chlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]butanamide
CID 100734919
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(3-chlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]butanamide
CID 100734924
2-[(3-chlorophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132621817
2-tert-butylsulfanyl-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 78771093

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide (CID 112792374) is N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide is CN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide?
The InChIKey is HXOQJRVRAWGSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO/c1-20(10-12-3-2-4-13(17)7-12)16(21)9-11-5-6-14(18)15(19)8-11/h2-8H,9-10H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide?
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide has a molecular weight of 342.65 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide is sourced from PubChem (CID 112792374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).