N-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide

C17H18FNO3 — CID 172904534

IUPACN-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc2cc(F)ccc2c(=O)o1
InChIInChI=1S/C17H18FNO3/c18-13-6-7-14-12(8-13)9-15(22-17(14)21)16(20)19-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,20)
InChIKeyUWAIOVSDHRZEHG-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.24
Rot. Bonds3

About N-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide

N-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide (PubChem CID 172904534) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide
PubChem CID172904534
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc2cc(F)ccc2c(=O)o1
InChIInChI=1S/C17H18FNO3/c18-13-6-7-14-12(8-13)9-15(22-17(14)21)16(20)19-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,20)
InChIKeyUWAIOVSDHRZEHG-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)-7-fluoro-4-oxochromene-2-carboxamide
CID 86227185
N-(cyclopropylmethyl)-6-nitro-1-oxoisochromene-3-carboxamide
CID 172904148
N-(1,3-benzodioxol-5-ylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide
CID 172905448
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 139328086
N-(cyclopentylmethyl)-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110627525
2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 115808809
5-chloro-N-(cyclohexylmethyl)furan-2-carboxamide
CID 35895984
N-(3-chloro-4-methoxyphenyl)-6-fluoro-1-oxoisochromene-3-carboxamide
CID 172905498
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide
CID 60822341

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide (CID 172904534) is N-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide is O=C(NCC1CCCCC1)c1cc2cc(F)ccc2c(=O)o1.
What is the InChIKey of N-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide?
The InChIKey is UWAIOVSDHRZEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c18-13-6-7-14-12(8-13)9-15(22-17(14)21)16(20)19-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,20).
What are the key properties of N-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-carboxamide?
N-(cyclohexylmethyl)-6-fluoro-1-oxoisochromene-3-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)-6-fluoro-1-oxoisochromene-3-carboxamide is sourced from PubChem (CID 172904534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).