N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide

C27H22N2O4 — CID 146089982

IUPACN-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCN(C(=O)C1CC(=O)c2ccccc21)c1cccc(NC(=O)C2CC(=O)c3ccccc32)c1
InChIInChI=1S/C27H22N2O4/c1-29(27(33)23-15-25(31)21-12-5-3-10-19(21)23)17-8-6-7-16(13-17)28-26(32)22-14-24(30)20-11-4-2-9-18(20)22/h2-13,22-23H,14-15H2,1H3,(H,28,32)
InChIKeyDMYITYDMIUHSIY-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.33
Rot. Bonds4

About N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide

N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 146089982) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID146089982
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC NameN-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCN(C(=O)C1CC(=O)c2ccccc21)c1cccc(NC(=O)C2CC(=O)c3ccccc32)c1
InChIInChI=1S/C27H22N2O4/c1-29(27(33)23-15-25(31)21-12-5-3-10-19(21)23)17-8-6-7-16(13-17)28-26(32)22-14-24(30)20-11-4-2-9-18(20)22/h2-13,22-23H,14-15H2,1H3,(H,28,32)
InChIKeyDMYITYDMIUHSIY-UHFFFAOYSA-N
XLogP4.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide with MolForge

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Related Compounds

3-oxo-N-phenyl-1,2-dihydroindene-1-carboxamide
CID 154839553
N-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 110677636
N-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide
CID 45497074
N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64857039
N-(3-acetamidophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703069
2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide
CID 167887496
N-[3-(dimethylsulfamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42930654
N-methyl-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide
CID 156571335
N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-oxo-1,2-dihydroindene-1-carboxamide
CID 56759396
2-(4-methoxyphenyl)-N-(3-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 152538857
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371
N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82158256

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide (CID 146089982) is N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide is CN(C(=O)C1CC(=O)c2ccccc21)c1cccc(NC(=O)C2CC(=O)c3ccccc32)c1.
What is the InChIKey of N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is DMYITYDMIUHSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4/c1-29(27(33)23-15-25(31)21-12-5-3-10-19(21)23)17-8-6-7-16(13-17)28-26(32)22-14-24(30)20-11-4-2-9-18(20)22/h2-13,22-23H,14-15H2,1H3,(H,28,32).
What are the key properties of N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide?
N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 146089982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).