N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide

C16H14F2N2O2 — CID 17395084

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2O2/c1-10-4-2-3-5-12(10)16(22)19-9-15(21)20-11-6-7-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyVOFKXEWWUQNGOS-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.64
Rot. Bonds4

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide (PubChem CID 17395084) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
PubChem CID17395084
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2O2/c1-10-4-2-3-5-12(10)16(22)19-9-15(21)20-11-6-7-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyVOFKXEWWUQNGOS-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 113002351
N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 134051678
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide
CID 7930200
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 27772966
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide
CID 2234244
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 55347863
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9220655
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26694803

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide (CID 17395084) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide?
The InChIKey is VOFKXEWWUQNGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-10-4-2-3-5-12(10)16(22)19-9-15(21)20-11-6-7-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide has a molecular weight of 304.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 17395084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).