2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide

C16H14N2O2 — CID 11644682

IUPAC2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESCc1ccc(N2C(=O)c3ccccc3C2C(N)=O)cc1
InChIInChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)18-14(15(17)19)12-4-2-3-5-13(12)16(18)20/h2-9,14H,1H3,(H2,17,19)
InChIKeyZRBWJLWUCGHMAE-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.18
Rot. Bonds2

About 2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide

2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 11644682) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
PubChem CID11644682
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESCc1ccc(N2C(=O)c3ccccc3C2C(N)=O)cc1
InChIInChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)18-14(15(17)19)12-4-2-3-5-13(12)16(18)20/h2-9,14H,1H3,(H2,17,19)
InChIKeyZRBWJLWUCGHMAE-UHFFFAOYSA-N
XLogP2.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dihydroxybenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one
CID 21178174
(3R)-3-(5-tert-butyl-2-hydroxybenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one
CID 94673270
3-ethenyl-2-(4-methylphenyl)-3H-isoindol-1-one
CID 141288135
3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one
CID 134845714
2-(4-chlorophenyl)-N-[(4-methylphenyl)sulfonylmethyl]-3-oxo-1H-isoindole-1-carboxamide
CID 166071198
2-(4-methoxyphenyl)-N-[(4-methylphenyl)sulfonylmethyl]-3-oxo-1H-isoindole-1-carboxamide
CID 166071197
2-(4-methylphenyl)-3-(3-oxo-1,2-dihydroinden-2-yl)-3H-isoindol-1-one
CID 132597816
methyl 6-methoxy-2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxylate
CID 619977
2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid
CID 10588897
(3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
CID 8003279
ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate
CID 57138770
(3R,9bS)-3-benzyl-1-(4-methylphenyl)-3,9b-dihydroimidazo[1,2-b]isoindole-2,5-dione
CID 139198824

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide (CID 11644682) is 2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide is Cc1ccc(N2C(=O)c3ccccc3C2C(N)=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is ZRBWJLWUCGHMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)18-14(15(17)19)12-4-2-3-5-13(12)16(18)20/h2-9,14H,1H3,(H2,17,19).
What are the key properties of 2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide?
2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 11644682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).