3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide

C21H20FNO — CID 133203833

IUPAC3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(F)c1)Cc1cccc2ccccc12
InChIInChI=1S/C21H20FNO/c1-15(14-23-21(24)18-9-5-10-19(22)13-18)12-17-8-4-7-16-6-2-3-11-20(16)17/h2-11,13,15H,12,14H2,1H3,(H,23,24)
InChIKeyZLIPHQAOJZPZOF-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.59
Rot. Bonds5

About 3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide

3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide (PubChem CID 133203833) has the molecular formula C21H20FNO and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide
PubChem CID133203833
Molecular FormulaC21H20FNO
Molecular Weight321.40 g/mol
Exact Mass321.15
IUPAC Name3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(F)c1)Cc1cccc2ccccc12
InChIInChI=1S/C21H20FNO/c1-15(14-23-21(24)18-9-5-10-19(22)13-18)12-17-8-4-7-16-6-2-3-11-20(16)17/h2-11,13,15H,12,14H2,1H3,(H,23,24)
InChIKeyZLIPHQAOJZPZOF-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031989
2,3-dimethoxy-N-[(2S)-2-methyl-3-naphthalen-1-ylpropyl]benzamide
CID 100531776
N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide
CID 168911378
N,2-dimethyl-3-naphthalen-1-ylpropan-1-amine
CID 62528877
2-[[(3-fluorobenzoyl)amino]methyl]butanoic acid
CID 65217601
3-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 34231408
N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide
CID 107156883
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43899207
3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide
CID 42213619
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
CID 142892736
3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 81063161

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide?
The IUPAC name of 3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide (CID 133203833) is 3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide is CC(CNC(=O)c1cccc(F)c1)Cc1cccc2ccccc12.
What is the InChIKey of 3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide?
The InChIKey is ZLIPHQAOJZPZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO/c1-15(14-23-21(24)18-9-5-10-19(22)13-18)12-17-8-4-7-16-6-2-3-11-20(16)17/h2-11,13,15H,12,14H2,1H3,(H,23,24).
What are the key properties of 3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide?
3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide has a molecular weight of 321.40 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide is sourced from PubChem (CID 133203833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).