6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide

C17H14FNO4 — CID 4906421

IUPAC6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)C2Cc3cc(F)ccc3C(=O)O2)cc1
InChIInChI=1S/C17H14FNO4/c1-22-13-5-3-12(4-6-13)19-16(20)15-9-10-8-11(18)2-7-14(10)17(21)23-15/h2-8,15H,9H2,1H3,(H,19,20)
InChIKeyJWNDZWUUPOGZPI-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.55
Rot. Bonds3

About 6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide

6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 4906421) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is 6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID4906421
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)C2Cc3cc(F)ccc3C(=O)O2)cc1
InChIInChI=1S/C17H14FNO4/c1-22-13-5-3-12(4-6-13)19-16(20)15-9-10-8-11(18)2-7-14(10)17(21)23-15/h2-8,15H,9H2,1H3,(H,19,20)
InChIKeyJWNDZWUUPOGZPI-UHFFFAOYSA-N
XLogP2.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide
CID 4909938
methyl 2-[(6-fluoro-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoate
CID 4904004
6-fluoro-1-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydroisochromene-3-carboxamide
CID 4905050
N-(4-ethoxyphenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4911042
N-(4-acetamidophenyl)-6-bromo-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4906792
methyl N-[4-[[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]phenyl]carbamate
CID 94103965
1-oxo-N-(4-phenoxyphenyl)-3,4-dihydroisochromene-3-carboxamide
CID 43024623
(3S)-N-(4-ethoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 2146555
5-fluoro-N-(4-methoxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 71066395
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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of 6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 4906421) is 6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is COc1ccc(NC(=O)C2Cc3cc(F)ccc3C(=O)O2)cc1.
What is the InChIKey of 6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is JWNDZWUUPOGZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c1-22-13-5-3-12(4-6-13)19-16(20)15-9-10-8-11(18)2-7-14(10)17(21)23-15/h2-8,15H,9H2,1H3,(H,19,20).
What are the key properties of 6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 4906421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).