2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide

C10H10ClF2NO — CID 60948624

IUPAC2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)CCl
InChIInChI=1S/C10H10ClF2NO/c1-14(10(15)5-11)6-7-2-3-8(12)9(13)4-7/h2-4H,5-6H2,1H3
InChIKeyWYTVSYDLGRRDEB-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.16
Rot. Bonds3

About 2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide

2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide (PubChem CID 60948624) has the molecular formula C10H10ClF2NO and a molecular weight of 233.65 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
PubChem CID60948624
Molecular FormulaC10H10ClF2NO
Molecular Weight233.65 g/mol
Exact Mass233.04
IUPAC Name2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)CCl
InChIInChI=1S/C10H10ClF2NO/c1-14(10(15)5-11)6-7-2-3-8(12)9(13)4-7/h2-4H,5-6H2,1H3
InChIKeyWYTVSYDLGRRDEB-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(3,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231927
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60729593
2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 79473671
1-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylformamide
CID 115172325
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
2-chloro-N-methyl-N-[(6-methylnaphthalen-2-yl)methyl]acetamide
CID 115162099
N-[(3,4-difluorophenyl)methyl]-N-methylbut-2-enamide
CID 112725264
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 62498032
2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide
CID 162420357
3-[[(3,4-difluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 122019411
N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 51076670

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide (CID 60948624) is 2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(F)c(F)c1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide?
The InChIKey is WYTVSYDLGRRDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO/c1-14(10(15)5-11)6-7-2-3-8(12)9(13)4-7/h2-4H,5-6H2,1H3.
What are the key properties of 2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide?
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide has a molecular weight of 233.65 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 60948624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).