3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide

C19H22FNO3 — CID 9413695

IUPAC3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2F)ccc1OCC(C)C
InChIInChI=1S/C19H22FNO3/c1-4-23-18-11-14(9-10-17(18)24-12-13(2)3)19(22)21-16-8-6-5-7-15(16)20/h5-11,13H,4,12H2,1-3H3,(H,21,22)
InChIKeyYTPPFEOBAYCDJT-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.51
Rot. Bonds7

About 3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide

3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide (PubChem CID 9413695) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide
PubChem CID9413695
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2F)ccc1OCC(C)C
InChIInChI=1S/C19H22FNO3/c1-4-23-18-11-14(9-10-17(18)24-12-13(2)3)19(22)21-16-8-6-5-7-15(16)20/h5-11,13H,4,12H2,1-3H3,(H,21,22)
InChIKeyYTPPFEOBAYCDJT-UHFFFAOYSA-N
XLogP4.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9095687
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
4-ethoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074278
N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 156704842
N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9096664
N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 8502589
N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide
CID 1307408
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310
4-N-(2-ethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092650
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide (CID 9413695) is 3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide is CCOc1cc(C(=O)Nc2ccccc2F)ccc1OCC(C)C.
What is the InChIKey of 3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide?
The InChIKey is YTPPFEOBAYCDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-4-23-18-11-14(9-10-17(18)24-12-13(2)3)19(22)21-16-8-6-5-7-15(16)20/h5-11,13H,4,12H2,1-3H3,(H,21,22).
What are the key properties of 3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide?
3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide has a molecular weight of 331.39 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 9413695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).