3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide

C19H22FNO2 — CID 133225144

IUPAC3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCOc1ccc(C(=O)NC(CC(C)C)c2ccccc2)cc1F
InChIInChI=1S/C19H22FNO2/c1-13(2)11-17(14-7-5-4-6-8-14)21-19(22)15-9-10-18(23-3)16(20)12-15/h4-10,12-13,17H,11H2,1-3H3,(H,21,22)
InChIKeyZEKYDSYXIVTJSJ-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.35
Rot. Bonds6

About 3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide

3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide (PubChem CID 133225144) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
PubChem CID133225144
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCOc1ccc(C(=O)NC(CC(C)C)c2ccccc2)cc1F
InChIInChI=1S/C19H22FNO2/c1-13(2)11-17(14-7-5-4-6-8-14)21-19(22)15-9-10-18(23-3)16(20)12-15/h4-10,12-13,17H,11H2,1-3H3,(H,21,22)
InChIKeyZEKYDSYXIVTJSJ-UHFFFAOYSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 100613058
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 114300958
4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853735
N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
CID 81289414
3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51199371
3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 100613122

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide (CID 133225144) is 3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide is COc1ccc(C(=O)NC(CC(C)C)c2ccccc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide?
The InChIKey is ZEKYDSYXIVTJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-13(2)11-17(14-7-5-4-6-8-14)21-19(22)15-9-10-18(23-3)16(20)12-15/h4-10,12-13,17H,11H2,1-3H3,(H,21,22).
What are the key properties of 3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide?
3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide has a molecular weight of 315.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide is sourced from PubChem (CID 133225144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).