N-(3,4-difluorophenyl)-3,4-diethoxybenzamide

C17H17F2NO3 — CID 3371741

IUPACN-(3,4-difluorophenyl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1OCC
InChIInChI=1S/C17H17F2NO3/c1-3-22-15-8-5-11(9-16(15)23-4-2)17(21)20-12-6-7-13(18)14(19)10-12/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyAEFPQAASRGKISU-UHFFFAOYSA-N
MW321.32 g/mol
LogP4.01
Rot. Bonds6

About N-(3,4-difluorophenyl)-3,4-diethoxybenzamide

N-(3,4-difluorophenyl)-3,4-diethoxybenzamide (PubChem CID 3371741) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3,4-diethoxybenzamide
PubChem CID3371741
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-(3,4-difluorophenyl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1OCC
InChIInChI=1S/C17H17F2NO3/c1-3-22-15-8-5-11(9-16(15)23-4-2)17(21)20-12-6-7-13(18)14(19)10-12/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyAEFPQAASRGKISU-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
N-(3,4-difluorophenyl)-4-ethoxy-3-nitrobenzamide
CID 9392336
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
CID 103706990
N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide
CID 115993807
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658514
4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 115733832
4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 102852031
3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 52660649
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3,4-diethoxybenzamide?
The IUPAC name of N-(3,4-difluorophenyl)-3,4-diethoxybenzamide (CID 3371741) is N-(3,4-difluorophenyl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1OCC.
What is the InChIKey of N-(3,4-difluorophenyl)-3,4-diethoxybenzamide?
The InChIKey is AEFPQAASRGKISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-3-22-15-8-5-11(9-16(15)23-4-2)17(21)20-12-6-7-13(18)14(19)10-12/h5-10H,3-4H2,1-2H3,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-3,4-diethoxybenzamide?
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide has a molecular weight of 321.32 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3,4-diethoxybenzamide is sourced from PubChem (CID 3371741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).