N-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide

C10H10F2N2O3 — CID 164532233

IUPACN-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1cc([N+](=O)[O-])c(F)c(F)c1C
InChIInChI=1S/C10H10F2N2O3/c1-5-7(13(3)6(2)15)4-8(14(16)17)10(12)9(5)11/h4H,1-3H3
InChIKeyVOYORJHXWKTIGL-UHFFFAOYSA-N
MW244.20 g/mol
LogP2.16
Rot. Bonds2

About N-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide

N-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide (PubChem CID 164532233) has the molecular formula C10H10F2N2O3 and a molecular weight of 244.20 g/mol. Its IUPAC name is N-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide
PubChem CID164532233
Molecular FormulaC10H10F2N2O3
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC NameN-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1cc([N+](=O)[O-])c(F)c(F)c1C
InChIInChI=1S/C10H10F2N2O3/c1-5-7(13(3)6(2)15)4-8(14(16)17)10(12)9(5)11/h4H,1-3H3
InChIKeyVOYORJHXWKTIGL-UHFFFAOYSA-N
XLogP2.16
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-2-methyl-5-nitrobenzoic acid
CID 143382870
N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide
CID 134413313
3-fluoro-N,N,2-trimethyl-4-nitroaniline
CID 130865181
N-methyl-N-[2-nitro-4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 167506648
N-methyl-N-(2-nitro-4-phenylphenyl)acetamide
CID 70088982
N-(2,3,4-trifluoro-5-nitrophenyl)acetamide
CID 156686573
[4-[acetyl(methyl)amino]-2-nitrophenyl]carbamic acid
CID 21455151
methyl 4-[acetyl(methyl)amino]-2-methoxy-5-nitrobenzoate
CID 10379023
2,3,4-trifluoro-5-nitrophenol
CID 131582853
N-(3,5-difluoro-2-nitrophenyl)-N-(trideuteriomethyl)acetamide
CID 175765193
4-fluoro-3-methyl-5-nitrobenzamide
CID 118821864
1-(3,4-difluoro-5-nitrophenyl)propan-2-one
CID 117306145

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide?
The IUPAC name of N-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide (CID 164532233) is N-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide.
What is the SMILES notation for N-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide?
The canonical SMILES for N-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide is CC(=O)N(C)c1cc([N+](=O)[O-])c(F)c(F)c1C.
What is the InChIKey of N-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide?
The InChIKey is VOYORJHXWKTIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3/c1-5-7(13(3)6(2)15)4-8(14(16)17)10(12)9(5)11/h4H,1-3H3.
What are the key properties of N-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide?
N-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide has a molecular weight of 244.20 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide is sourced from PubChem (CID 164532233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).