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

C16H18FNO3 — CID 111485827

IUPAC7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H18FNO3/c17-12-6-4-5-11-9-13(21-14(11)12)15(19)18-10-16(20)7-2-1-3-8-16/h4-6,9,20H,1-3,7-8,10H2,(H,18,19)
InChIKeyAMLKRZXELOPQMK-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.00
Rot. Bonds3

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

7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 111485827) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID111485827
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H18FNO3/c17-12-6-4-5-11-9-13(21-14(11)12)15(19)18-10-16(20)7-2-1-3-8-16/h4-6,9,20H,1-3,7-8,10H2,(H,18,19)
InChIKeyAMLKRZXELOPQMK-UHFFFAOYSA-N
XLogP3.00
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 111486301
[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737168
5-(2-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]furan-2-carboxamide
CID 111333061
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64866996
2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114736987
N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 65123055
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123538
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
5-ethyl-N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64868940
N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 114760777

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide (CID 111485827) is 7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide is O=C(NCC1(O)CCCCC1)c1cc2cccc(F)c2o1.
What is the InChIKey of 7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is AMLKRZXELOPQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c17-12-6-4-5-11-9-13(21-14(11)12)15(19)18-10-16(20)7-2-1-3-8-16/h4-6,9,20H,1-3,7-8,10H2,(H,18,19).
What are the key properties of 7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide?
7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111485827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).