N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide

C16H16FNO2 — CID 60794723

IUPACN-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)c1ccccc1
InChIInChI=1S/C16H16FNO2/c1-11(14-10-13(17)8-9-15(14)20-2)18-16(19)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)
InChIKeyUJTSHPABWWZEOP-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.33
Rot. Bonds4

About N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide (PubChem CID 60794723) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
PubChem CID60794723
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)c1ccccc1
InChIInChI=1S/C16H16FNO2/c1-11(14-10-13(17)8-9-15(14)20-2)18-16(19)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)
InChIKeyUJTSHPABWWZEOP-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

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide
CID 60794861
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 66463904
6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 115497321
4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 134006936
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-benzothiophene-3-carboxamide
CID 112836896
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120589076

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide (CID 60794723) is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide is COc1ccc(F)cc1C(C)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide?
The InChIKey is UJTSHPABWWZEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11(14-10-13(17)8-9-15(14)20-2)18-16(19)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide?
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]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 N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 60794723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).