2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide

C16H15F2N3O2 — CID 38253484

IUPAC2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C16H15F2N3O2/c1-19-16(23)11-4-2-3-5-13(11)20-9-15(22)21-14-8-10(17)6-7-12(14)18/h2-8,20H,9H2,1H3,(H,19,23)(H,21,22)
InChIKeyKGYMYYWAUKSHGX-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.38
Rot. Bonds5

About 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide

2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide (PubChem CID 38253484) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide
PubChem CID38253484
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C16H15F2N3O2/c1-19-16(23)11-4-2-3-5-13(11)20-9-15(22)21-14-8-10(17)6-7-12(14)18/h2-8,20H,9H2,1H3,(H,19,23)(H,21,22)
InChIKeyKGYMYYWAUKSHGX-UHFFFAOYSA-N
XLogP2.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37472105
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543586
N-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 36860099
2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543564
2-(2-acetylanilino)-N-(5-chloro-2-fluorophenyl)acetamide
CID 46633480
N-cyclopentyl-2-[[2-(2,5-difluoroanilino)acetyl]amino]benzamide
CID 33162764
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543562
2-(2,5-difluoroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 42069511
2-(5-chloro-2-methylanilino)-N-(2,5-difluorophenyl)acetamide
CID 37479978
N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide
CID 34082938
2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17404436
N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide (CID 38253484) is 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1NCC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The InChIKey is KGYMYYWAUKSHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-19-16(23)11-4-2-3-5-13(11)20-9-15(22)21-14-8-10(17)6-7-12(14)18/h2-8,20H,9H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide?
2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide has a molecular weight of 319.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide is sourced from PubChem (CID 38253484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).