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

C10H11Cl2NO — CID 19862165

IUPACN-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO/c1-7(14)13(2)6-8-3-4-9(11)5-10(8)12/h3-5H,6H2,1-2H3
InChIKeyMHLUBHIZKDQNSR-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.97
Rot. Bonds2

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

N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 19862165) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID19862165
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO/c1-7(14)13(2)6-8-3-4-9(11)5-10(8)12/h3-5H,6H2,1-2H3
InChIKeyMHLUBHIZKDQNSR-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 62847986
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 167972061
2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60939480
2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805049
3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 94697067
N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732013
N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide
CID 66789788
2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
CID 62638137
3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 60775674
6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 9417730
2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60683217

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide (CID 19862165) is N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide is CC(=O)N(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is MHLUBHIZKDQNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-7(14)13(2)6-8-3-4-9(11)5-10(8)12/h3-5H,6H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 232.11 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 19862165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).