N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide

C15H18FNO3 — CID 126857871

IUPACN-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCN(C(=O)C1OCCc2ccccc21)C1COCC1F
InChIInChI=1S/C15H18FNO3/c1-17(13-9-19-8-12(13)16)15(18)14-11-5-3-2-4-10(11)6-7-20-14/h2-5,12-14H,6-9H2,1H3
InChIKeyBJFQHEKTOCOZQP-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.50
Rot. Bonds2

About N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide

N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 126857871) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID126857871
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC NameN-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCN(C(=O)C1OCCc2ccccc21)C1COCC1F
InChIInChI=1S/C15H18FNO3/c1-17(13-9-19-8-12(13)16)15(18)14-11-5-3-2-4-10(11)6-7-20-14/h2-5,12-14H,6-9H2,1H3
InChIKeyBJFQHEKTOCOZQP-UHFFFAOYSA-N
XLogP1.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 126788961
N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 166252419
1-(3,4-dihydro-1H-isochromen-1-yl)-2,2-dimethylpropan-1-one
CID 105098669
N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 116651619
N-(5-methoxypyrimidin-2-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 132970815
4-[[[(1S)-3,4-dihydro-1H-isochromene-1-carbonyl]-methylamino]methyl]benzoic acid
CID 124684427
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 126918086
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
CID 119995087
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-ethylphenyl)ethanone
CID 105081743
2-[butan-2-yl(3,4-dihydro-1H-isochromene-1-carbonyl)amino]acetic acid
CID 60984955
1-(3,4-dihydro-1H-isochromen-1-yl)prop-2-yn-1-one
CID 105108198
ethyl 3,4-dihydro-1H-isochromene-1-carboxylate
CID 12511862

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide (CID 126857871) is N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide is CN(C(=O)C1OCCc2ccccc21)C1COCC1F.
What is the InChIKey of N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is BJFQHEKTOCOZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-17(13-9-19-8-12(13)16)15(18)14-11-5-3-2-4-10(11)6-7-20-14/h2-5,12-14H,6-9H2,1H3.
What are the key properties of N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorooxolan-3-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 126857871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).