3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide

C15H21FN2O2 — CID 64573984

IUPAC3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(COCC2(N)CCCCC2)c1
InChIInChI=1S/C15H21FN2O2/c16-13-5-4-11(14(17)19)8-12(13)9-20-10-15(18)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9-10,18H2,(H2,17,19)
InChIKeyAXCGGBRTMSUNQQ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.10
Rot. Bonds5

About 3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide

3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide (PubChem CID 64573984) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide
PubChem CID64573984
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(COCC2(N)CCCCC2)c1
InChIInChI=1S/C15H21FN2O2/c16-13-5-4-11(14(17)19)8-12(13)9-20-10-15(18)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9-10,18H2,(H2,17,19)
InChIKeyAXCGGBRTMSUNQQ-UHFFFAOYSA-N
XLogP2.10
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide
CID 102668869
4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide
CID 114484503
1-[(2,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine
CID 64551910
4-fluoro-3-[2-(propan-2-ylamino)ethoxymethyl]benzamide
CID 62341432
1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine
CID 105372272
4-[(1-aminocycloheptyl)methoxymethyl]-3-fluorobenzonitrile
CID 64549154
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
CID 43326289
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide
CID 111435956
1-[(3-bromo-4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
CID 64571813
3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide
CID 62807937

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide?
The IUPAC name of 3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide (CID 64573984) is 3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide?
The canonical SMILES for 3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(COCC2(N)CCCCC2)c1.
What is the InChIKey of 3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide?
The InChIKey is AXCGGBRTMSUNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-13-5-4-11(14(17)19)8-12(13)9-20-10-15(18)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9-10,18H2,(H2,17,19).
What are the key properties of 3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide?
3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide is sourced from PubChem (CID 64573984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).