3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide

C14H19FN2O2 — CID 62807937

IUPAC3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(COC2CCC(N)CC2)c1
InChIInChI=1S/C14H19FN2O2/c15-13-6-1-9(14(17)18)7-10(13)8-19-12-4-2-11(16)3-5-12/h1,6-7,11-12H,2-5,8,16H2,(H2,17,18)
InChIKeySFTHPBAAFGVOTG-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.71
Rot. Bonds4

About 3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide

3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide (PubChem CID 62807937) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide
PubChem CID62807937
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(COC2CCC(N)CC2)c1
InChIInChI=1S/C14H19FN2O2/c15-13-6-1-9(14(17)18)7-10(13)8-19-12-4-2-11(16)3-5-12/h1,6-7,11-12H,2-5,8,16H2,(H2,17,18)
InChIKeySFTHPBAAFGVOTG-UHFFFAOYSA-N
XLogP1.71
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-aminocyclohexyl)oxymethyl]benzamide
CID 62807395
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
CID 43326289
[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol
CID 106825197
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
3-fluoro-4-(piperidin-3-yloxymethyl)benzamide
CID 62328013
3-[(3,5-dimethylcyclohexyl)oxymethyl]-4-fluorobenzoic acid
CID 64731427
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide
CID 65202032
4-fluoro-3-[(2-hydroxyphenoxy)methyl]benzamide
CID 43143477
4-[(2-fluoro-4-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 102876123
3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide
CID 64573984

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide?
The IUPAC name of 3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide (CID 62807937) is 3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide?
The canonical SMILES for 3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(COC2CCC(N)CC2)c1.
What is the InChIKey of 3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide?
The InChIKey is SFTHPBAAFGVOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-13-6-1-9(14(17)18)7-10(13)8-19-12-4-2-11(16)3-5-12/h1,6-7,11-12H,2-5,8,16H2,(H2,17,18).
What are the key properties of 3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide?
3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide has a molecular weight of 266.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide is sourced from PubChem (CID 62807937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).