N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide

C17H17FN2O3 — CID 46632768

IUPACN-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1
InChIInChI=1S/C17H17FN2O3/c1-3-23-14-7-4-12(5-8-14)17(22)20-13-6-9-15(18)16(10-13)19-11(2)21/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJKTBTLDPNRTVAD-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.44
Rot. Bonds5

About N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide

N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide (PubChem CID 46632768) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
PubChem CID46632768
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1
InChIInChI=1S/C17H17FN2O3/c1-3-23-14-7-4-12(5-8-14)17(22)20-13-6-9-15(18)16(10-13)19-11(2)21/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJKTBTLDPNRTVAD-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110
N-(3-acetamido-4-fluorophenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 55532881
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
N-(3-acetamido-4-fluorophenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55532368
4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 3342317
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63971441
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide
CID 62679243
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide (CID 46632768) is N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide?
The InChIKey is JKTBTLDPNRTVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-3-23-14-7-4-12(5-8-14)17(22)20-13-6-9-15(18)16(10-13)19-11(2)21/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide?
N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide has a molecular weight of 316.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide is sourced from PubChem (CID 46632768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).