N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide

C17H15F3N2O2 — CID 113064610

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

About N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide

N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide (PubChem CID 113064610) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide
PubChem CID113064610
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F3N2O2/c1-11(23)22(14-5-6-15(19)16(20)10-14)8-7-21-17(24)12-3-2-4-13(18)9-12/h2-6,9-10H,7-8H2,1H3,(H,21,24)
InChIKeySIUPMYAUVOPBHK-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-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-bromobenzamide
CID 113064613
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
CID 113057546
N-[2-(N-acetyl-3-methylanilino)ethyl]-3-fluorobenzamide
CID 113057422
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113064623
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113064620
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide
CID 113064615
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
CID 113059416
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide
CID 113063065
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide
CID 113063846

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide (CID 113064610) is N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide is CC(=O)N(CCNC(=O)c1cccc(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide?
The InChIKey is SIUPMYAUVOPBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-11(23)22(14-5-6-15(19)16(20)10-14)8-7-21-17(24)12-3-2-4-13(18)9-12/h2-6,9-10H,7-8H2,1H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide?
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide 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-3,4-difluoroanilino)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 113064610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).