3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide

C12H16FNO2 — CID 126794158

IUPAC3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccoc1)C1CCCC(F)C1
InChIInChI=1S/C12H16FNO2/c13-11-3-1-2-10(6-11)12(15)14-7-9-4-5-16-8-9/h4-5,8,10-11H,1-3,6-7H2,(H,14,15)
InChIKeyBHCCENAVACKGNF-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.42
Rot. Bonds3

About 3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide

3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 126794158) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID126794158
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccoc1)C1CCCC(F)C1
InChIInChI=1S/C12H16FNO2/c13-11-3-1-2-10(6-11)12(15)14-7-9-4-5-16-8-9/h4-5,8,10-11H,1-3,6-7H2,(H,14,15)
InChIKeyBHCCENAVACKGNF-UHFFFAOYSA-N
XLogP2.42
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(furan-3-ylmethyl)urea
CID 47236948
N-(furan-3-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893843
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]cyclohexanecarboxamide
CID 121196766
(1R,2R,3R,4R)-3-(furan-3-ylmethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124780786
(1R,2S,3S,4R)-3-(furan-3-ylmethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98125121
2-(cyclopentylamino)-N-(furan-3-ylmethyl)acetamide
CID 115746985
(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97275381
cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320151
N-benzylcyclobutanecarboxamide
CID 730128
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
(3S,4S)-N-(furan-3-ylmethyl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963466
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide (CID 126794158) is 3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide is O=C(NCc1ccoc1)C1CCCC(F)C1.
What is the InChIKey of 3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is BHCCENAVACKGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-11-3-1-2-10(6-11)12(15)14-7-9-4-5-16-8-9/h4-5,8,10-11H,1-3,6-7H2,(H,14,15).
What are the key properties of 3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide?
3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 225.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(furan-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 126794158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).