N-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide

C19H18FNO3 — CID 4909938

IUPACN-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide
SMILESCC(C)c1ccc2c(c1)CC(C(=O)Nc1ccc(F)cc1)OC2=O
InChIInChI=1S/C19H18FNO3/c1-11(2)12-3-8-16-13(9-12)10-17(24-19(16)23)18(22)21-15-6-4-14(20)5-7-15/h3-9,11,17H,10H2,1-2H3,(H,21,22)
InChIKeyMUBAYPQTUUIXFQ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.67
Rot. Bonds3

About N-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide

N-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide (PubChem CID 4909938) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide
PubChem CID4909938
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC NameN-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide
SMILESCC(C)c1ccc2c(c1)CC(C(=O)Nc1ccc(F)cc1)OC2=O
InChIInChI=1S/C19H18FNO3/c1-11(2)12-3-8-16-13(9-12)10-17(24-19(16)23)18(22)21-15-6-4-14(20)5-7-15/h3-9,11,17H,10H2,1-2H3,(H,21,22)
InChIKeyMUBAYPQTUUIXFQ-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4906421
N-(2-ethoxyphenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide
CID 4912041
N-(2-cyanophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide
CID 4910611
N-(4-acetamidophenyl)-6-bromo-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4906792
6-fluoro-1-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydroisochromene-3-carboxamide
CID 4905050
methyl 2-[(6-fluoro-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoate
CID 4904004
6-methyl-N-(3-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4906193
(3R)-7-methyl-N-(4-methylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 2446771
(3R)-1-oxo-N-phenyl-3,4-dihydroisochromene-3-carboxamide
CID 2146542
N-(3,4-dichlorophenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4870540
N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4911042
methyl N-[4-[[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]phenyl]carbamate
CID 94103965

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide (CID 4909938) is N-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide is CC(C)c1ccc2c(c1)CC(C(=O)Nc1ccc(F)cc1)OC2=O.
What is the InChIKey of N-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is MUBAYPQTUUIXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-11(2)12-3-8-16-13(9-12)10-17(24-19(16)23)18(22)21-15-6-4-14(20)5-7-15/h3-9,11,17H,10H2,1-2H3,(H,21,22).
What are the key properties of N-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide?
N-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 4909938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).