N-(4-butylphenyl)-2,4-difluorobenzamide

C17H17F2NO — CID 8961049

IUPACN-(4-butylphenyl)-2,4-difluorobenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H17F2NO/c1-2-3-4-12-5-8-14(9-6-12)20-17(21)15-10-7-13(18)11-16(15)19/h5-11H,2-4H2,1H3,(H,20,21)
InChIKeyUSHFETZCRZTFGT-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.56
Rot. Bonds5

About N-(4-butylphenyl)-2,4-difluorobenzamide

N-(4-butylphenyl)-2,4-difluorobenzamide (PubChem CID 8961049) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(4-butylphenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2,4-difluorobenzamide
PubChem CID8961049
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-(4-butylphenyl)-2,4-difluorobenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H17F2NO/c1-2-3-4-12-5-8-14(9-6-12)20-17(21)15-10-7-13(18)11-16(15)19/h5-11H,2-4H2,1H3,(H,20,21)
InChIKeyUSHFETZCRZTFGT-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(4-butylphenyl)-2-fluorobenzamide
CID 43216193
butyl 4-[(2,4-difluorobenzoyl)amino]benzoate
CID 7760837
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
2,4-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 38352115
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721
N-(4-butylphenyl)-7-fluoroquinoxaline-5-carboxamide
CID 112844513
N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107022704
N-(4-butylphenyl)-2,3,4-trimethoxybenzamide
CID 9442096
2-amino-N-(4-butylphenyl)-5-chlorobenzamide
CID 43378411
4-butyl-N-[1-(5-fluoro-2-prop-1-en-2-ylphenyl)ethenyl]aniline
CID 166763210

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2,4-difluorobenzamide?
The IUPAC name of N-(4-butylphenyl)-2,4-difluorobenzamide (CID 8961049) is N-(4-butylphenyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(4-butylphenyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(4-butylphenyl)-2,4-difluorobenzamide is CCCCc1ccc(NC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-(4-butylphenyl)-2,4-difluorobenzamide?
The InChIKey is USHFETZCRZTFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-2-3-4-12-5-8-14(9-6-12)20-17(21)15-10-7-13(18)11-16(15)19/h5-11H,2-4H2,1H3,(H,20,21).
What are the key properties of N-(4-butylphenyl)-2,4-difluorobenzamide?
N-(4-butylphenyl)-2,4-difluorobenzamide has a molecular weight of 289.33 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 8961049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).