N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide

C24H21N3O2 — CID 4615384

IUPACN-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
SMILESCc1c(C=NNC(=O)c2ccc(O)cc2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H21N3O2/c1-17-22(15-25-26-24(29)19-11-13-20(28)14-12-19)21-9-5-6-10-23(21)27(17)16-18-7-3-2-4-8-18/h2-15,28H,16H2,1H3,(H,26,29)
InChIKeyPFJAJOMFFPCRAJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.47
Rot. Bonds5

About N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide

N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide (PubChem CID 4615384) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
PubChem CID4615384
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
SMILESCc1c(C=NNC(=O)c2ccc(O)cc2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H21N3O2/c1-17-22(15-25-26-24(29)19-11-13-20(28)14-12-19)21-9-5-6-10-23(21)27(17)16-18-7-3-2-4-8-18/h2-15,28H,16H2,1H3,(H,26,29)
InChIKeyPFJAJOMFFPCRAJ-UHFFFAOYSA-N
XLogP4.47
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.47
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

N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
CID 3382244
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide
CID 95395790
4-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 126376160
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 4299532
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126258425
N-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 5029475
N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide
CID 177459672
N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide
CID 29148711
N-[(E)-3-[2-[(1-benzyl-2-methylindol-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 129437766
N-[(E)-3-[(2Z)-2-[(1-benzyl-2-methylindol-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 6080567

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide (CID 4615384) is N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide is Cc1c(C=NNC(=O)c2ccc(O)cc2)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is PFJAJOMFFPCRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-17-22(15-25-26-24(29)19-11-13-20(28)14-12-19)21-9-5-6-10-23(21)27(17)16-18-7-3-2-4-8-18/h2-15,28H,16H2,1H3,(H,26,29).
What are the key properties of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide?
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 383.45 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 4615384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).