N-(4-ethoxyphenyl)-3,5-difluorobenzamide

C15H13F2NO2 — CID 8745463

IUPACN-(4-ethoxyphenyl)-3,5-difluorobenzamide
SMILESCCOc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H13F2NO2/c1-2-20-14-5-3-13(4-6-14)18-15(19)10-7-11(16)9-12(17)8-10/h3-9H,2H2,1H3,(H,18,19)
InChIKeyLIBDXXTUXRQDJF-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.62
Rot. Bonds4

About N-(4-ethoxyphenyl)-3,5-difluorobenzamide

N-(4-ethoxyphenyl)-3,5-difluorobenzamide (PubChem CID 8745463) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3,5-difluorobenzamide
PubChem CID8745463
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC NameN-(4-ethoxyphenyl)-3,5-difluorobenzamide
SMILESCCOc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H13F2NO2/c1-2-20-14-5-3-13(4-6-14)18-15(19)10-7-11(16)9-12(17)8-10/h3-9H,2H2,1H3,(H,18,19)
InChIKeyLIBDXXTUXRQDJF-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide
CID 62679243
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-(4-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 79532343
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide
CID 115659773
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3,5-difluorobenzamide?
The IUPAC name of N-(4-ethoxyphenyl)-3,5-difluorobenzamide (CID 8745463) is N-(4-ethoxyphenyl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3,5-difluorobenzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3,5-difluorobenzamide is CCOc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3,5-difluorobenzamide?
The InChIKey is LIBDXXTUXRQDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-2-20-14-5-3-13(4-6-14)18-15(19)10-7-11(16)9-12(17)8-10/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of N-(4-ethoxyphenyl)-3,5-difluorobenzamide?
N-(4-ethoxyphenyl)-3,5-difluorobenzamide has a molecular weight of 277.27 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3,5-difluorobenzamide is sourced from PubChem (CID 8745463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).