N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide

C20H24FNO3 — CID 8639946

IUPACN-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(F)cc2C)cc1OCCC
InChIInChI=1S/C20H24FNO3/c1-4-10-24-18-9-6-15(13-19(18)25-11-5-2)20(23)22-17-8-7-16(21)12-14(17)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,23)
InChIKeyIJSFCRUTRWUCHM-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.96
Rot. Bonds8

About N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide

N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide (PubChem CID 8639946) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide
PubChem CID8639946
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(F)cc2C)cc1OCCC
InChIInChI=1S/C20H24FNO3/c1-4-10-24-18-9-6-15(13-19(18)25-11-5-2)20(23)22-17-8-7-16(21)12-14(17)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,23)
InChIKeyIJSFCRUTRWUCHM-UHFFFAOYSA-N
XLogP4.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2600021
N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide
CID 120569287
4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide
CID 104782299
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
N-(2,3-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2599686
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide
CID 26071019
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide
CID 102850738
N-(4-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 7751885
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide (CID 8639946) is N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(F)cc2C)cc1OCCC.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide?
The InChIKey is IJSFCRUTRWUCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-4-10-24-18-9-6-15(13-19(18)25-11-5-2)20(23)22-17-8-7-16(21)12-14(17)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,23).
What are the key properties of N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide?
N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide has a molecular weight of 345.41 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide is sourced from PubChem (CID 8639946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).