N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide

C16H12FNO3 — CID 4901890

IUPACN-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1OC(C(=O)Nc2ccccc2F)Cc2ccccc21
InChIInChI=1S/C16H12FNO3/c17-12-7-3-4-8-13(12)18-15(19)14-9-10-5-1-2-6-11(10)16(20)21-14/h1-8,14H,9H2,(H,18,19)
InChIKeyCPIVMVICDCFOTG-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.55
Rot. Bonds2

About N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide

N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 4901890) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID4901890
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC NameN-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1OC(C(=O)Nc2ccccc2F)Cc2ccccc21
InChIInChI=1S/C16H12FNO3/c17-12-7-3-4-8-13(12)18-15(19)14-9-10-5-1-2-6-11(10)16(20)21-14/h1-8,14H,9H2,(H,18,19)
InChIKeyCPIVMVICDCFOTG-UHFFFAOYSA-N
XLogP2.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-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

1-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydroisochromene-3-carboxamide
CID 5111630
2-[[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]benzoic acid
CID 2146567
(3S)-N-(2-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 753364
N-(2-tert-butylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43024444
(3R)-1-oxo-N-phenyl-3,4-dihydroisochromene-3-carboxamide
CID 2146542
(3S)-N-(2,5-dichlorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 941228
(3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide
CID 25409056
N-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 3921971
(3R)-N-[2-[hydroxy(diphenyl)methyl]phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 41093830
(3S)-N-(4-chloro-2-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 8569610
(3S)-N-[2-(2-fluorophenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 9117473
(3R)-N-(1H-indol-4-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 94797600

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 4901890) is N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is O=C1OC(C(=O)Nc2ccccc2F)Cc2ccccc21.
What is the InChIKey of N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is CPIVMVICDCFOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-12-7-3-4-8-13(12)18-15(19)14-9-10-5-1-2-6-11(10)16(20)21-14/h1-8,14H,9H2,(H,18,19).
What are the key properties of N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 285.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 4901890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).