N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide

C24H23N3O2 — CID 1350157

IUPACN-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide
SMILESCc1cc2c(cc1C)CN(c1ccc(C=NNC(=O)c3ccc(O)cc3)cc1)C2
InChIInChI=1S/C24H23N3O2/c1-16-11-20-14-27(15-21(20)12-17(16)2)22-7-3-18(4-8-22)13-25-26-24(29)19-5-9-23(28)10-6-19/h3-13,28H,14-15H2,1-2H3,(H,26,29)
InChIKeyINXISRCGQZEGOV-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.29
Rot. Bonds4

About N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide

N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide (PubChem CID 1350157) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide
PubChem CID1350157
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide
SMILESCc1cc2c(cc1C)CN(c1ccc(C=NNC(=O)c3ccc(O)cc3)cc1)C2
InChIInChI=1S/C24H23N3O2/c1-16-11-20-14-27(15-21(20)12-17(16)2)22-7-3-18(4-8-22)13-25-26-24(29)19-5-9-23(28)10-6-19/h3-13,28H,14-15H2,1-2H3,(H,26,29)
InChIKeyINXISRCGQZEGOV-UHFFFAOYSA-N
XLogP4.29
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135781840
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)benzamide
CID 6872466
2-chloro-N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]benzamide
CID 2249500
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
4-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyphenyl)methylideneamino]benzamide
CID 4054579
3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6895959
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135446581
4-[(E)-[[2-(4-bromophenyl)-1,3-dihydroisoindole-5-carbonyl]hydrazinylidene]methyl]benzoic acid
CID 124525519
N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide
CID 1240254
N-[[4-(1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-nitrobenzamide
CID 5219958

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide (CID 1350157) is N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide is Cc1cc2c(cc1C)CN(c1ccc(C=NNC(=O)c3ccc(O)cc3)cc1)C2.
What is the InChIKey of N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is INXISRCGQZEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16-11-20-14-27(15-21(20)12-17(16)2)22-7-3-18(4-8-22)13-25-26-24(29)19-5-9-23(28)10-6-19/h3-13,28H,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide?
N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 385.47 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 1350157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).