5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide

C17H18FNO2 — CID 166382855

IUPAC5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)N(C)[C@@H](C)c1ccccc1
InChIInChI=1S/C17H18FNO2/c1-12(13-7-5-4-6-8-13)19(2)17(20)15-11-14(18)9-10-16(15)21-3/h4-12H,1-3H3/t12-/m0/s1
InChIKeyUCEYAXCEBYECSY-LBPRGKRZSA-N
MW287.33 g/mol
LogP3.67
Rot. Bonds4

About 5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide

5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 166382855) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide
PubChem CID166382855
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)N(C)[C@@H](C)c1ccccc1
InChIInChI=1S/C17H18FNO2/c1-12(13-7-5-4-6-8-13)19(2)17(20)15-11-14(18)9-10-16(15)21-3/h4-12H,1-3H3/t12-/m0/s1
InChIKeyUCEYAXCEBYECSY-LBPRGKRZSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 43022056
1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone
CID 116751569
2,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 74627130
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide
CID 55509693
N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 51267088
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 61111567
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9436483
N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide
CID 43549195
5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
CID 110886002
N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide
CID 54856631
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
2-amino-5-methoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 61112703

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide (CID 166382855) is 5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide is COc1ccc(F)cc1C(=O)N(C)[C@@H](C)c1ccccc1.
What is the InChIKey of 5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is UCEYAXCEBYECSY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12(13-7-5-4-6-8-13)19(2)17(20)15-11-14(18)9-10-16(15)21-3/h4-12H,1-3H3/t12-/m0/s1.
What are the key properties of 5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide?
5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 287.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 166382855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).