2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide

C17H19FN2O4 — CID 175994062

IUPAC2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide
SMILESCN(C)C(=O)c1ccc2oc(N3CCO[C@H](CF)C3)cc(=O)c2c1
InChIInChI=1S/C17H19FN2O4/c1-19(2)17(22)11-3-4-15-13(7-11)14(21)8-16(24-15)20-5-6-23-12(9-18)10-20/h3-4,7-8,12H,5-6,9-10H2,1-2H3/t12-/m1/s1
InChIKeyIHJVZJUQBXKYPU-GFCCVEGCSA-N
MW334.35 g/mol
LogP1.67
Rot. Bonds3

About 2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide

2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide (PubChem CID 175994062) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide
PubChem CID175994062
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide
SMILESCN(C)C(=O)c1ccc2oc(N3CCO[C@H](CF)C3)cc(=O)c2c1
InChIInChI=1S/C17H19FN2O4/c1-19(2)17(22)11-3-4-15-13(7-11)14(21)8-16(24-15)20-5-6-23-12(9-18)10-20/h3-4,7-8,12H,5-6,9-10H2,1-2H3/t12-/m1/s1
InChIKeyIHJVZJUQBXKYPU-GFCCVEGCSA-N
XLogP1.67
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-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 2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide?
The IUPAC name of 2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide (CID 175994062) is 2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide.
What is the SMILES notation for 2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide?
The canonical SMILES for 2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide is CN(C)C(=O)c1ccc2oc(N3CCO[C@H](CF)C3)cc(=O)c2c1.
What is the InChIKey of 2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide?
The InChIKey is IHJVZJUQBXKYPU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-19(2)17(22)11-3-4-15-13(7-11)14(21)8-16(24-15)20-5-6-23-12(9-18)10-20/h3-4,7-8,12H,5-6,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide?
2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(fluoromethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 175994062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).