7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide

C16H18FNO3 — CID 104927239

IUPAC7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@@H]2CCCC[C@H]2O)oc2c(F)cccc12
InChIInChI=1S/C16H18FNO3/c1-9-10-5-4-6-11(17)15(10)21-14(9)16(20)18-12-7-2-3-8-13(12)19/h4-6,12-13,19H,2-3,7-8H2,1H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyHTEVZTZXOXVUGF-CHWSQXEVSA-N
MW291.32 g/mol
LogP2.91
Rot. Bonds2

About 7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide

7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 104927239) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID104927239
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@@H]2CCCC[C@H]2O)oc2c(F)cccc12
InChIInChI=1S/C16H18FNO3/c1-9-10-5-4-6-11(17)15(10)21-14(9)16(20)18-12-7-2-3-8-13(12)19/h4-6,12-13,19H,2-3,7-8H2,1H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyHTEVZTZXOXVUGF-CHWSQXEVSA-N
XLogP2.91
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide (CID 104927239) is 7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N[C@@H]2CCCC[C@H]2O)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is HTEVZTZXOXVUGF-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-9-10-5-4-6-11(17)15(10)21-14(9)16(20)18-12-7-2-3-8-13(12)19/h4-6,12-13,19H,2-3,7-8H2,1H3,(H,18,20)/t12-,13-/m1/s1.
What are the key properties of 7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide?
7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 104927239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).