N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide

C17H15F3N2O2 — CID 113062649

IUPACN-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H15F3N2O2/c1-11(23)22(14-4-2-3-13(18)10-14)8-7-21-17(24)12-5-6-15(19)16(20)9-12/h2-6,9-10H,7-8H2,1H3,(H,21,24)
InChIKeyUXAMXPVPISSJJE-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide

N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide (PubChem CID 113062649) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
PubChem CID113062649
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H15F3N2O2/c1-11(23)22(14-4-2-3-13(18)10-14)8-7-21-17(24)12-5-6-15(19)16(20)9-12/h2-6,9-10H,7-8H2,1H3,(H,21,24)
InChIKeyUXAMXPVPISSJJE-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide
CID 113064610
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N-acetyl-3-methylanilino)ethyl]-3-fluorobenzamide
CID 113057422
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-bromobenzamide
CID 113064613
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide
CID 113063065
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
CID 113057546
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113064623
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide
CID 113058813
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]-3,4-difluorobenzamide
CID 113061115
methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061960
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide (CID 113062649) is N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide is CC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)c1cccc(F)c1.
What is the InChIKey of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide?
The InChIKey is UXAMXPVPISSJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-11(23)22(14-4-2-3-13(18)10-14)8-7-21-17(24)12-5-6-15(19)16(20)9-12/h2-6,9-10H,7-8H2,1H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide?
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide has a molecular weight of 336.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113062649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).