3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide

C16H16FNO2 — CID 51194681

IUPAC3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccccc2)cc1F
InChIInChI=1S/C16H16FNO2/c1-11(12-6-4-3-5-7-12)18-16(19)13-8-9-15(20-2)14(17)10-13/h3-11H,1-2H3,(H,18,19)
InChIKeyAMUCQNGRNISJDR-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.33
Rot. Bonds4

About 3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide

3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide (PubChem CID 51194681) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
PubChem CID51194681
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccccc2)cc1F
InChIInChI=1S/C16H16FNO2/c1-11(12-6-4-3-5-7-12)18-16(19)13-8-9-15(20-2)14(17)10-13/h3-11H,1-2H3,(H,18,19)
InChIKeyAMUCQNGRNISJDR-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 100613122
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-fluoro-4-methoxybenzoate
CID 7522915
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408
3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 9482281
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide (CID 51194681) is 3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide is COc1ccc(C(=O)NC(C)c2ccccc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide?
The InChIKey is AMUCQNGRNISJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11(12-6-4-3-5-7-12)18-16(19)13-8-9-15(20-2)14(17)10-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of 3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide?
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide has a molecular weight of 273.31 g/mol, XLogP of 3.33, 4 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-(1-phenylethyl)benzamide is sourced from PubChem (CID 51194681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).