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

C15H21FN2O — CID 43317879

IUPAC4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide
SMILESCC1CCCC(NCc2cc(C(N)=O)ccc2F)C1
InChIInChI=1S/C15H21FN2O/c1-10-3-2-4-13(7-10)18-9-12-8-11(15(17)19)5-6-14(12)16/h5-6,8,10,13,18H,2-4,7,9H2,1H3,(H2,17,19)
InChIKeyBZKYUTVMFXLLNE-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.59
Rot. Bonds4

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

4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide (PubChem CID 43317879) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide
PubChem CID43317879
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide
SMILESCC1CCCC(NCc2cc(C(N)=O)ccc2F)C1
InChIInChI=1S/C15H21FN2O/c1-10-3-2-4-13(7-10)18-9-12-8-11(15(17)19)5-6-14(12)16/h5-6,8,10,13,18H,2-4,7,9H2,1H3,(H2,17,19)
InChIKeyBZKYUTVMFXLLNE-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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Related Compounds

4-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43215986
3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 63043343
4-fluoro-3-[[(3-methylcyclobutyl)amino]methyl]benzoic acid
CID 107453364
4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide
CID 43610147
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579771
4-fluoro-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzamide
CID 114629521
4-chloro-2-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 43317707
3-[(cyclohexylamino)methyl]-4-fluorobenzoic acid
CID 107452338
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317429
4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
CID 24694362
4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide
CID 114480409

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide?
The IUPAC name of 4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide (CID 43317879) is 4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide is CC1CCCC(NCc2cc(C(N)=O)ccc2F)C1.
What is the InChIKey of 4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide?
The InChIKey is BZKYUTVMFXLLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-3-2-4-13(7-10)18-9-12-8-11(15(17)19)5-6-14(12)16/h5-6,8,10,13,18H,2-4,7,9H2,1H3,(H2,17,19).
What are the key properties of 4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide?
4-fluoro-3-[[(3-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 4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide is sourced from PubChem (CID 43317879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).