N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide

C10H9F2NO2 — CID 115166392

IUPACN-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)C=O
InChIInChI=1S/C10H9F2NO2/c1-13(10(15)6-14)5-7-2-3-8(11)4-9(7)12/h2-4,6H,5H2,1H3
InChIKeyVYXAWEIHOKFLPE-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.12
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide

N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide (PubChem CID 115166392) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
PubChem CID115166392
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)C=O
InChIInChI=1S/C10H9F2NO2/c1-13(10(15)6-14)5-7-2-3-8(11)4-9(7)12/h2-4,6H,5H2,1H3
InChIKeyVYXAWEIHOKFLPE-UHFFFAOYSA-N
XLogP1.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
N-[(2,4-difluorophenyl)methyl]-N-methylformamide
CID 64990427
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
2-cyclopentyl-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 134046668
2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 79345363
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 54874892
2-[carboxymethyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 63645803

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide (CID 115166392) is N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide is CN(Cc1ccc(F)cc1F)C(=O)C=O.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide?
The InChIKey is VYXAWEIHOKFLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c1-13(10(15)6-14)5-7-2-3-8(11)4-9(7)12/h2-4,6H,5H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide?
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide has a molecular weight of 213.18 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 115166392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).