3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide

C18H18FNO2 — CID 42265593

IUPAC3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C18H18FNO2/c1-22-16-7-5-14(6-8-16)18(9-10-18)12-20-17(21)13-3-2-4-15(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,21)
InChIKeyGWBOMDZGVDIDHE-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.30
Rot. Bonds5

About 3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide

3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide (PubChem CID 42265593) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
PubChem CID42265593
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C18H18FNO2/c1-22-16-7-5-14(6-8-16)18(9-10-18)12-20-17(21)13-3-2-4-15(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,21)
InChIKeyGWBOMDZGVDIDHE-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265617
3-fluoro-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265812
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42265583
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 112835530
N-[2-[[N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111638323
3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide
CID 47921805
3-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444038
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
CID 42265991
1-[(4-fluorophenyl)methyl]-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214597
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide (CID 42265593) is 3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide is COc1ccc(C2(CNC(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of 3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide?
The InChIKey is GWBOMDZGVDIDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-22-16-7-5-14(6-8-16)18(9-10-18)12-20-17(21)13-3-2-4-15(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,21).
What are the key properties of 3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide?
3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide has a molecular weight of 299.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 42265593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).