N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide

C15H13F3N2O2 — CID 34082938

IUPACN-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide
SMILESCOc1cc(F)ccc1NCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C15H13F3N2O2/c1-22-14-7-10(17)3-5-12(14)19-8-15(21)20-13-6-9(16)2-4-11(13)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyGKGYIOMHXOAAOD-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.16
Rot. Bonds5

About N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide

N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide (PubChem CID 34082938) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide
PubChem CID34082938
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide
SMILESCOc1cc(F)ccc1NCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C15H13F3N2O2/c1-22-14-7-10(17)3-5-12(14)19-8-15(21)20-13-6-9(16)2-4-11(13)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyGKGYIOMHXOAAOD-UHFFFAOYSA-N
XLogP3.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 9099062
methyl 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37472105
methyl 3-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 17454893
2-(5-chloro-2-methylanilino)-N-(2,5-difluorophenyl)acetamide
CID 37479978
2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide
CID 34083092
2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 54968324
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
2-(2,5-difluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 28574559
2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 86825970
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
methyl 2-(2,5-difluoroanilino)acetate
CID 28574625

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide (CID 34082938) is N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide is COc1cc(F)ccc1NCC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide?
The InChIKey is GKGYIOMHXOAAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-22-14-7-10(17)3-5-12(14)19-8-15(21)20-13-6-9(16)2-4-11(13)18/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide?
N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide has a molecular weight of 310.28 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide is sourced from PubChem (CID 34082938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).