3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide

C17H18FNO2 — CID 51212297

IUPAC3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1cccc(F)c1
InChIInChI=1S/C17H18FNO2/c1-11-7-8-16(21-3)15(9-11)12(2)19-17(20)13-5-4-6-14(18)10-13/h4-10,12H,1-3H3,(H,19,20)
InChIKeyINWUMDCJZDPXLE-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.63
Rot. Bonds4

About 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide

3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 51212297) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID51212297
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1cccc(F)c1
InChIInChI=1S/C17H18FNO2/c1-11-7-8-16(21-3)15(9-11)12(2)19-17(20)13-5-4-6-14(18)10-13/h4-10,12H,1-3H3,(H,19,20)
InChIKeyINWUMDCJZDPXLE-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide
CID 841056
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 41277485
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide
CID 60794861
2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212285
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 134006936
5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide
CID 78948546
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81352935

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 51212297) is 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide is COc1ccc(C)cc1C(C)NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is INWUMDCJZDPXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11-7-8-16(21-3)15(9-11)12(2)19-17(20)13-5-4-6-14(18)10-13/h4-10,12H,1-3H3,(H,19,20).
What are the key properties of 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 287.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 51212297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).