2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide

C17H18FNO — CID 71090765

IUPAC2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide
SMILESCC1C2C3CC4C1C2(CNC(=O)c1ccccc1F)C34
InChIInChI=1S/C17H18FNO/c1-8-13-10-6-11-14(8)17(13,15(10)11)7-19-16(20)9-4-2-3-5-12(9)18/h2-5,8,10-11,13-15H,6-7H2,1H3,(H,19,20)
InChIKeyPVKDGJQDNMRQAP-UHFFFAOYSA-N
MW271.33 g/mol
LogP2.70
Rot. Bonds3

About 2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide

2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide (PubChem CID 71090765) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide
PubChem CID71090765
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide
SMILESCC1C2C3CC4C1C2(CNC(=O)c1ccccc1F)C34
InChIInChI=1S/C17H18FNO/c1-8-13-10-6-11-14(8)17(13,15(10)11)7-19-16(20)9-4-2-3-5-12(9)18/h2-5,8,10-11,13-15H,6-7H2,1H3,(H,19,20)
InChIKeyPVKDGJQDNMRQAP-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide (CID 71090765) is 2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide is CC1C2C3CC4C1C2(CNC(=O)c1ccccc1F)C34.
What is the InChIKey of 2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide?
The InChIKey is PVKDGJQDNMRQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-8-13-10-6-11-14(8)17(13,15(10)11)7-19-16(20)9-4-2-3-5-12(9)18/h2-5,8,10-11,13-15H,6-7H2,1H3,(H,19,20).
What are the key properties of 2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide?
2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide has a molecular weight of 271.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(7-methyl-1-tetracyclo[4.2.0.02,5.03,8]octanyl)methyl]benzamide is sourced from PubChem (CID 71090765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).