N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride

C10H10ClF2NO — CID 115195055

IUPACN-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride
SMILESCN(CCc1ccc(F)cc1F)C(=O)Cl
InChIInChI=1S/C10H10ClF2NO/c1-14(10(11)15)5-4-7-2-3-8(12)6-9(7)13/h2-3,6H,4-5H2,1H3
InChIKeyIEKAGRYSZKNBIZ-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.80
Rot. Bonds3

About N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride

N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride (PubChem CID 115195055) has the molecular formula C10H10ClF2NO and a molecular weight of 233.65 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride
PubChem CID115195055
Molecular FormulaC10H10ClF2NO
Molecular Weight233.65 g/mol
Exact Mass233.04
IUPAC NameN-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride
SMILESCN(CCc1ccc(F)cc1F)C(=O)Cl
InChIInChI=1S/C10H10ClF2NO/c1-14(10(11)15)5-4-7-2-3-8(12)6-9(7)13/h2-3,6H,4-5H2,1H3
InChIKeyIEKAGRYSZKNBIZ-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(2,4-difluorophenyl)ethyl]-N-methylacetamide
CID 115162195
N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide
CID 115167494
2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115162189
4-(2,4-difluorophenyl)butan-2-one
CID 62197971
N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195073
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141045
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride?
The IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride (CID 115195055) is N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride?
The canonical SMILES for N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride is CN(CCc1ccc(F)cc1F)C(=O)Cl.
What is the InChIKey of N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride?
The InChIKey is IEKAGRYSZKNBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO/c1-14(10(11)15)5-4-7-2-3-8(12)6-9(7)13/h2-3,6H,4-5H2,1H3.
What are the key properties of N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride?
N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride has a molecular weight of 233.65 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)ethyl]-N-methylcarbamoyl chloride is sourced from PubChem (CID 115195055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).