4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide

C17H24FNO3 — CID 111435956

IUPAC4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cc(C(=O)NCC2(O)CCCCCC2)ccc1F
InChIInChI=1S/C17H24FNO3/c1-22-11-14-10-13(6-7-15(14)18)16(20)19-12-17(21)8-4-2-3-5-9-17/h6-7,10,21H,2-5,8-9,11-12H2,1H3,(H,19,20)
InChIKeyWGIQRGSEPOXXCU-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.79
Rot. Bonds5

About 4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide

4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide (PubChem CID 111435956) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is 4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide
PubChem CID111435956
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cc(C(=O)NCC2(O)CCCCCC2)ccc1F
InChIInChI=1S/C17H24FNO3/c1-22-11-14-10-13(6-7-15(14)18)16(20)19-12-17(21)8-4-2-3-5-9-17/h6-7,10,21H,2-5,8-9,11-12H2,1H3,(H,19,20)
InChIKeyWGIQRGSEPOXXCU-UHFFFAOYSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide
CID 111539575
1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426880
3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 59356128
4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64865903
3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
CID 111660763
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
4-fluoro-3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzoic acid
CID 107452977
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990
3-bromo-4-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107952526
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]-3-methylbenzamide
CID 111484729

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide?
The IUPAC name of 4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide (CID 111435956) is 4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide is COCc1cc(C(=O)NCC2(O)CCCCCC2)ccc1F.
What is the InChIKey of 4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide?
The InChIKey is WGIQRGSEPOXXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-22-11-14-10-13(6-7-15(14)18)16(20)19-12-17(21)8-4-2-3-5-9-17/h6-7,10,21H,2-5,8-9,11-12H2,1H3,(H,19,20).
What are the key properties of 4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide?
4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide has a molecular weight of 309.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 111435956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).