N-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide

C17H18FNO3 — CID 86227185

IUPACN-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(=O)c2ccc(F)cc2o1
InChIInChI=1S/C17H18FNO3/c18-12-6-7-13-14(20)9-16(22-15(13)8-12)17(21)19-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,21)
InChIKeyAFLMIULSPUUVRP-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.24
Rot. Bonds3

About N-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide

N-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide (PubChem CID 86227185) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide
PubChem CID86227185
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(=O)c2ccc(F)cc2o1
InChIInChI=1S/C17H18FNO3/c18-12-6-7-13-14(20)9-16(22-15(13)8-12)17(21)19-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,21)
InChIKeyAFLMIULSPUUVRP-UHFFFAOYSA-N
XLogP3.24
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide
CID 172904534
N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 139328086
N-[(4,4-difluorocyclohexyl)methyl]-4-oxochromene-2-carboxamide
CID 139328053
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11509431
N-(cyclohexylmethyl)-8-nitro-4-oxochromene-2-carboxamide
CID 86227233
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
7-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11973799
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192
6-fluoro-N-methyl-4-oxochromene-2-carboxamide
CID 139338161
7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide
CID 11583193

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide (CID 86227185) is N-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide is O=C(NCC1CCCCC1)c1cc(=O)c2ccc(F)cc2o1.
What is the InChIKey of N-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide?
The InChIKey is AFLMIULSPUUVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c18-12-6-7-13-14(20)9-16(22-15(13)8-12)17(21)19-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,21).
What are the key properties of N-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide?
N-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-7-fluoro-4-oxochromene-2-carboxamide is sourced from PubChem (CID 86227185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).