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

C16H14F2N2O2 — CID 9165041

IUPACN-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C16H14F2N2O2/c1-10-3-2-4-11(7-10)16(22)19-9-15(21)20-14-6-5-12(17)8-13(14)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyLKHSULULOOGZRH-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.64
Rot. Bonds4

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

N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide (PubChem CID 9165041) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
PubChem CID9165041
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C16H14F2N2O2/c1-10-3-2-4-11(7-10)16(22)19-9-15(21)20-14-6-5-12(17)8-13(14)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyLKHSULULOOGZRH-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-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 9495518
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 26666234
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548489
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide
CID 9165071
4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046917
2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742
N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9411308
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide
CID 113001247
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882572
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211846

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide (CID 9165041) is N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide?
The InChIKey is LKHSULULOOGZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-10-3-2-4-11(7-10)16(22)19-9-15(21)20-14-6-5-12(17)8-13(14)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide?
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-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-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 9165041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).