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

C10H9Cl2F2NO — CID 103600531

IUPACN-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)C(F)F
InChIInChI=1S/C10H9Cl2F2NO/c1-15(10(16)9(13)14)5-6-3-2-4-7(11)8(6)12/h2-4,9H,5H2,1H3
InChIKeyFMCNXOBBZDHXKH-UHFFFAOYSA-N
MW268.09 g/mol
LogP3.22
Rot. Bonds3

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

N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide (PubChem CID 103600531) has the molecular formula C10H9Cl2F2NO and a molecular weight of 268.09 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
PubChem CID103600531
Molecular FormulaC10H9Cl2F2NO
Molecular Weight268.09 g/mol
Exact Mass267.00
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)C(F)F
InChIInChI=1S/C10H9Cl2F2NO/c1-15(10(16)9(13)14)5-6-3-2-4-7(11)8(6)12/h2-4,9H,5H2,1H3
InChIKeyFMCNXOBBZDHXKH-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
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N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-methylsulfonylpropanamide
CID 122144545
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
tert-butyl N-[1-[(2,3-dichlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
CID 55561197
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805999
N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 60628160
(2R)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanamide
CID 97359708
N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78768741
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CID 115645448

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide (CID 103600531) is N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide is CN(Cc1cccc(Cl)c1Cl)C(=O)C(F)F.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide?
The InChIKey is FMCNXOBBZDHXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F2NO/c1-15(10(16)9(13)14)5-6-3-2-4-7(11)8(6)12/h2-4,9H,5H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide?
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide has a molecular weight of 268.09 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide is sourced from PubChem (CID 103600531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).