N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide

C16H14F2N2O2 — CID 46745022

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C16H14F2N2O2/c1-10-5-7-11(8-6-10)16(22)19-9-14(21)20-15-12(17)3-2-4-13(15)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyFDWSFKAUBYGZPS-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.64
Rot. Bonds4

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide (PubChem CID 46745022) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide
PubChem CID46745022
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C16H14F2N2O2/c1-10-5-7-11(8-6-10)16(22)19-9-14(21)20-15-12(17)3-2-4-13(15)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyFDWSFKAUBYGZPS-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-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 113002290
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 26887091
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
CID 113002294
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide
CID 17349905
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 43546705
N-[2-(2,6-difluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 110698062
methyl 4-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 26417367

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide (CID 46745022) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide?
The InChIKey is FDWSFKAUBYGZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-10-5-7-11(8-6-10)16(22)19-9-14(21)20-15-12(17)3-2-4-13(15)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-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-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 46745022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).