N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide

C24H19N3O4 — CID 135625215

IUPACN-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)/N=N/C(=O)c2ccc(-n3c(O)c4ccccc4c3O)cc2)c(C)c1
InChIInChI=1S/C24H19N3O4/c1-14-7-12-18(15(2)13-14)22(29)26-25-21(28)16-8-10-17(11-9-16)27-23(30)19-5-3-4-6-20(19)24(27)31/h3-13,30-31H,1-2H3/b26-25+
InChIKeyGSIKSKKBYPWPMH-OCEACIFDSA-N
MW413.43 g/mol
LogP5.09
Rot. Bonds3

About N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide

N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide (PubChem CID 135625215) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide
PubChem CID135625215
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC NameN-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)/N=N/C(=O)c2ccc(-n3c(O)c4ccccc4c3O)cc2)c(C)c1
InChIInChI=1S/C24H19N3O4/c1-14-7-12-18(15(2)13-14)22(29)26-25-21(28)16-8-10-17(11-9-16)27-23(30)19-5-3-4-6-20(19)24(27)31/h3-13,30-31H,1-2H3/b26-25+
InChIKeyGSIKSKKBYPWPMH-OCEACIFDSA-N
XLogP5.09
TPSA104.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.43
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2-hydroxybenzamide
CID 1378807
N-(2,4-dimethylbenzoyl)imino-1,3-dihydroxy-2-prop-2-enylisoindole-5-carboxamide
CID 135840326
N-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide
CID 154835094
2,4-dimethylbenzoyl isocyanate
CID 83529650
2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4111919
methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate
CID 925279
(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone
CID 79591122
N-[[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethylidene]benzamide
CID 10551685
N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
CID 4501413
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
3-(3,4-dimethoxyphenyl)-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 4815113
N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46565875

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide?
The IUPAC name of N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide (CID 135625215) is N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide.
What is the SMILES notation for N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide?
The canonical SMILES for N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide is Cc1ccc(C(=O)/N=N/C(=O)c2ccc(-n3c(O)c4ccccc4c3O)cc2)c(C)c1.
What is the InChIKey of N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide?
The InChIKey is GSIKSKKBYPWPMH-OCEACIFDSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-14-7-12-18(15(2)13-14)22(29)26-25-21(28)16-8-10-17(11-9-16)27-23(30)19-5-3-4-6-20(19)24(27)31/h3-13,30-31H,1-2H3/b26-25+.
What are the key properties of N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide?
N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide has a molecular weight of 413.43 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]imino-2,4-dimethylbenzamide is sourced from PubChem (CID 135625215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).