N-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide

C20H20FNO3 — CID 4904914

IUPACN-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide
SMILESCC(C)c1ccc2c(c1)CC(C)(C(=O)Nc1ccccc1F)OC2=O
InChIInChI=1S/C20H20FNO3/c1-12(2)13-8-9-15-14(10-13)11-20(3,25-18(15)23)19(24)22-17-7-5-4-6-16(17)21/h4-10,12H,11H2,1-3H3,(H,22,24)
InChIKeyYAEFISWKGQKNDT-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.06
Rot. Bonds3

About N-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide

N-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide (PubChem CID 4904914) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide
PubChem CID4904914
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC NameN-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide
SMILESCC(C)c1ccc2c(c1)CC(C)(C(=O)Nc1ccccc1F)OC2=O
InChIInChI=1S/C20H20FNO3/c1-12(2)13-8-9-15-14(10-13)11-20(3,25-18(15)23)19(24)22-17-7-5-4-6-16(17)21/h4-10,12H,11H2,1-3H3,(H,22,24)
InChIKeyYAEFISWKGQKNDT-UHFFFAOYSA-N
XLogP4.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 829970
N-(4-acetylphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide
CID 4908139
3-methyl-1-oxo-6-propan-2-yl-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide
CID 4909952
3-methyl-N-(2-methylphenyl)-1-oxo-4H-isochromene-3-carboxamide
CID 3158988
(3S)-N-(2-ethylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 944283
(3S)-N-(2-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 7263264
dimethyl 2-[[(3S)-3,6-dimethyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 7632914
N-(3,4-dimethylphenyl)-6-fluoro-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 4974992
3-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide
CID 134044672
N-(3,5-dimethylphenyl)-3,6-dimethyl-1-oxo-4H-isochromene-3-carboxamide
CID 4911830
3-methyl-N-(2-nitrophenyl)-1-oxo-4H-isochromene-3-carboxamide
CID 4905308
3-methyl-N-naphthalen-2-yl-1-oxo-4H-isochromene-3-carboxamide
CID 3922014

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide (CID 4904914) is N-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide is CC(C)c1ccc2c(c1)CC(C)(C(=O)Nc1ccccc1F)OC2=O.
What is the InChIKey of N-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide?
The InChIKey is YAEFISWKGQKNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-12(2)13-8-9-15-14(10-13)11-20(3,25-18(15)23)19(24)22-17-7-5-4-6-16(17)21/h4-10,12H,11H2,1-3H3,(H,22,24).
What are the key properties of N-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide?
N-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide is sourced from PubChem (CID 4904914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).