3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide

C15H21FN2O — CID 28579771

IUPAC3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide
SMILESCC1CCC(NCc2ccc(C(N)=O)cc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-10-2-6-13(7-3-10)18-9-12-5-4-11(15(17)19)8-14(12)16/h4-5,8,10,13,18H,2-3,6-7,9H2,1H3,(H2,17,19)
InChIKeyWQSDKOUFRVLPHW-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.59
Rot. Bonds4

About 3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide

3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide (PubChem CID 28579771) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide
PubChem CID28579771
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide
SMILESCC1CCC(NCc2ccc(C(N)=O)cc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-10-2-6-13(7-3-10)18-9-12-5-4-11(15(17)19)8-14(12)16/h4-5,8,10,13,18H,2-3,6-7,9H2,1H3,(H2,17,19)
InChIKeyWQSDKOUFRVLPHW-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide?
The IUPAC name of 3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide (CID 28579771) is 3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide is CC1CCC(NCc2ccc(C(N)=O)cc2F)CC1.
What is the InChIKey of 3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide?
The InChIKey is WQSDKOUFRVLPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-2-6-13(7-3-10)18-9-12-5-4-11(15(17)19)8-14(12)16/h4-5,8,10,13,18H,2-3,6-7,9H2,1H3,(H2,17,19).
What are the key properties of 3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide?
3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide has a molecular weight of 264.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide is sourced from PubChem (CID 28579771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).