N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide

C23H20N2O4 — CID 46255708

IUPACN,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)cc1
InChIInChI=1S/C23H20N2O4/c1-28-18-10-6-16(7-11-18)24-22(26)20-5-3-4-15-14-25(23(27)21(15)20)17-8-12-19(29-2)13-9-17/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyARDAACMXIDUSFA-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.12
Rot. Bonds5

About N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide

N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 46255708) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID46255708
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC NameN,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)cc1
InChIInChI=1S/C23H20N2O4/c1-28-18-10-6-16(7-11-18)24-22(26)20-5-3-4-15-14-25(23(27)21(15)20)17-8-12-19(29-2)13-9-17/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyARDAACMXIDUSFA-UHFFFAOYSA-N
XLogP4.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide
CID 6619677
N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 122175076
2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46261885
2-(4-methoxyphenyl)-7-propan-2-yl-3H-isoindol-1-one
CID 167034371
N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46253514
2-[4-[4-(4-methoxyphenyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid
CID 24757049
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
CID 16787137
N-(4-chlorophenyl)-4-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 58600848
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3238535
(2S,3R)-3-methyl-2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]pentanoic acid
CID 7618910
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020

Frequently Asked Questions

What is the IUPAC name of N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide (CID 46255708) is N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide is COc1ccc(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)cc1.
What is the InChIKey of N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is ARDAACMXIDUSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-28-18-10-6-16(7-11-18)24-22(26)20-5-3-4-15-14-25(23(27)21(15)20)17-8-12-19(29-2)13-9-17/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 46255708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).