3,4-difluoro-N-(2-phenylbutyl)benzamide

C17H17F2NO — CID 43016062

IUPAC3,4-difluoro-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C17H17F2NO/c1-2-12(13-6-4-3-5-7-13)11-20-17(21)14-8-9-15(18)16(19)10-14/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKeyAYRSTOILXJMLOH-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.89
Rot. Bonds5

About 3,4-difluoro-N-(2-phenylbutyl)benzamide

3,4-difluoro-N-(2-phenylbutyl)benzamide (PubChem CID 43016062) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-phenylbutyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-phenylbutyl)benzamide
PubChem CID43016062
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3,4-difluoro-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C17H17F2NO/c1-2-12(13-6-4-3-5-7-13)11-20-17(21)14-8-9-15(18)16(19)10-14/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKeyAYRSTOILXJMLOH-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide
CID 26687345
2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide
CID 134008249
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
CID 119271718
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599
3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide
CID 51213384
2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid
CID 119179703
3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide
CID 45351975
1-oxido-N-(2-phenylbutyl)pyridin-1-ium-4-carboxamide
CID 47110917
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-phenylbutyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(2-phenylbutyl)benzamide (CID 43016062) is 3,4-difluoro-N-(2-phenylbutyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(2-phenylbutyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(2-phenylbutyl)benzamide is CCC(CNC(=O)c1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 3,4-difluoro-N-(2-phenylbutyl)benzamide?
The InChIKey is AYRSTOILXJMLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-2-12(13-6-4-3-5-7-13)11-20-17(21)14-8-9-15(18)16(19)10-14/h3-10,12H,2,11H2,1H3,(H,20,21).
What are the key properties of 3,4-difluoro-N-(2-phenylbutyl)benzamide?
3,4-difluoro-N-(2-phenylbutyl)benzamide has a molecular weight of 289.33 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-phenylbutyl)benzamide is sourced from PubChem (CID 43016062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).