7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide

C18H22FNO2 — CID 32917686

IUPAC7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C2CCC(C)CC2)oc2c(F)cccc12
InChIInChI=1S/C18H22FNO2/c1-11-7-9-13(10-8-11)20(3)18(21)16-12(2)14-5-4-6-15(19)17(14)22-16/h4-6,11,13H,7-10H2,1-3H3
InChIKeyJMDAXNLOPXUVNQ-UHFFFAOYSA-N
MW303.38 g/mol
LogP4.53
Rot. Bonds2

About 7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide

7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide (PubChem CID 32917686) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
PubChem CID32917686
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C2CCC(C)CC2)oc2c(F)cccc12
InChIInChI=1S/C18H22FNO2/c1-11-7-9-13(10-8-11)20(3)18(21)16-12(2)14-5-4-6-15(19)17(14)22-16/h4-6,11,13H,7-10H2,1-3H3
InChIKeyJMDAXNLOPXUVNQ-UHFFFAOYSA-N
XLogP4.53
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241826
7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide
CID 167937659
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 71927981
7-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 112548198
N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 123307514
7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide
CID 104927239
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344598
7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 43393388
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 98690049
N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115612802
7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 78956970
3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43172110

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide (CID 32917686) is 7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)C2CCC(C)CC2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The InChIKey is JMDAXNLOPXUVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-11-7-9-13(10-8-11)20(3)18(21)16-12(2)14-5-4-6-15(19)17(14)22-16/h4-6,11,13H,7-10H2,1-3H3.
What are the key properties of 7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 32917686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).