5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide

C18H20FNO2 — CID 9084334

IUPAC5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H20FNO2/c1-12-4-2-3-5-15(12)20-18(21)17-11-10-16(22-17)13-6-8-14(19)9-7-13/h6-12,15H,2-5H2,1H3,(H,20,21)/t12-,15-/m0/s1
InChIKeyKYBOSKQJQLPZRO-WFASDCNBSA-N
MW301.36 g/mol
LogP4.39
Rot. Bonds3

About 5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide

5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide (PubChem CID 9084334) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide
PubChem CID9084334
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H20FNO2/c1-12-4-2-3-5-15(12)20-18(21)17-11-10-16(22-17)13-6-8-14(19)9-7-13/h6-12,15H,2-5H2,1H3,(H,20,21)/t12-,15-/m0/s1
InChIKeyKYBOSKQJQLPZRO-WFASDCNBSA-N
XLogP4.39
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-fluorophenyl)-N-(2-methylcyclohexyl)furan-2-carboxamide
CID 24502726
1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]thiourea
CID 11936385
1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]thiourea
CID 11936388
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane
CID 161354262
5-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide
CID 120553771
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide
CID 22518253
5-(1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]furan-2-carboxamide
CID 9084323
[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537508
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727812
N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide
CID 15978646

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide (CID 9084334) is 5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide is C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide?
The InChIKey is KYBOSKQJQLPZRO-WFASDCNBSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-12-4-2-3-5-15(12)20-18(21)17-11-10-16(22-17)13-6-8-14(19)9-7-13/h6-12,15H,2-5H2,1H3,(H,20,21)/t12-,15-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide?
5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide has a molecular weight of 301.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 9084334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).