3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide

C17H18FNO4 — CID 175851808

IUPAC3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide
SMILESNC(=O)c1oc2c(O)cc(F)cc2c(=O)c1CC1CCCCC1
InChIInChI=1S/C17H18FNO4/c18-10-7-12-14(21)11(6-9-4-2-1-3-5-9)16(17(19)22)23-15(12)13(20)8-10/h7-9,20H,1-6H2,(H2,19,22)
InChIKeyUYVKVZAFAYIZNN-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.86
Rot. Bonds3

About 3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide

3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide (PubChem CID 175851808) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide
PubChem CID175851808
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide
SMILESNC(=O)c1oc2c(O)cc(F)cc2c(=O)c1CC1CCCCC1
InChIInChI=1S/C17H18FNO4/c18-10-7-12-14(21)11(6-9-4-2-1-3-5-9)16(17(19)22)23-15(12)13(20)8-10/h7-9,20H,1-6H2,(H2,19,22)
InChIKeyUYVKVZAFAYIZNN-UHFFFAOYSA-N
XLogP2.86
TPSA93.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide?
The IUPAC name of 3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide (CID 175851808) is 3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide.
What is the SMILES notation for 3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide?
The canonical SMILES for 3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide is NC(=O)c1oc2c(O)cc(F)cc2c(=O)c1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide?
The InChIKey is UYVKVZAFAYIZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c18-10-7-12-14(21)11(6-9-4-2-1-3-5-9)16(17(19)22)23-15(12)13(20)8-10/h7-9,20H,1-6H2,(H2,19,22).
What are the key properties of 3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide?
3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-6-fluoro-8-hydroxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 175851808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).