N-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide

C19H21FN2O4 — CID 139328028

IUPACN-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide
SMILESCC(=O)NC1(CNC(=O)c2cc(=O)c3cc(F)ccc3o2)CCCCC1
InChIInChI=1S/C19H21FN2O4/c1-12(23)22-19(7-3-2-4-8-19)11-21-18(25)17-10-15(24)14-9-13(20)5-6-16(14)26-17/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyKOROPGBELTYERE-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.50
Rot. Bonds4

About N-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide

N-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide (PubChem CID 139328028) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide
PubChem CID139328028
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC NameN-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide
SMILESCC(=O)NC1(CNC(=O)c2cc(=O)c3cc(F)ccc3o2)CCCCC1
InChIInChI=1S/C19H21FN2O4/c1-12(23)22-19(7-3-2-4-8-19)11-21-18(25)17-10-15(24)14-9-13(20)5-6-16(14)26-17/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyKOROPGBELTYERE-UHFFFAOYSA-N
XLogP2.50
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-acetamidocyclohexyl)methyl]-6-fluoro-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 N-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide (CID 139328028) is N-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide is CC(=O)NC1(CNC(=O)c2cc(=O)c3cc(F)ccc3o2)CCCCC1.
What is the InChIKey of N-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide?
The InChIKey is KOROPGBELTYERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-12(23)22-19(7-3-2-4-8-19)11-21-18(25)17-10-15(24)14-9-13(20)5-6-16(14)26-17/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide?
N-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetamidocyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide is sourced from PubChem (CID 139328028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).