N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide

C17H15N3O — CID 135604376

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H15N3O/c1-12-5-4-6-13(9-12)17(21)20-19-11-14-10-18-16-8-3-2-7-15(14)16/h2-11,18H,1H3,(H,20,21)/b19-11+
InChIKeyFRWWABWPHDEDFY-YBFXNURJSA-N
MW277.33 g/mol
LogP3.24
Rot. Bonds3

About N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide

N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide (PubChem CID 135604376) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
PubChem CID135604376
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H15N3O/c1-12-5-4-6-13(9-12)17(21)20-19-11-14-10-18-16-8-3-2-7-15(14)16/h2-11,18H,1H3,(H,20,21)/b19-11+
InChIKeyFRWWABWPHDEDFY-YBFXNURJSA-N
XLogP3.24
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 135957370
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135795104
N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 137054711
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 135606906
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide
CID 135704659
3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136897265

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide (CID 135604376) is N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide is Cc1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide?
The InChIKey is FRWWABWPHDEDFY-YBFXNURJSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-5-4-6-13(9-12)17(21)20-19-11-14-10-18-16-8-3-2-7-15(14)16/h2-11,18H,1H3,(H,20,21)/b19-11+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide has a molecular weight of 277.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide is sourced from PubChem (CID 135604376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).