N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide

C21H17N3O — CID 136593729

IUPACN-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2c[nH]c3c2ccc2ccccc23)cc1
InChIInChI=1S/C21H17N3O/c1-14-6-8-16(9-7-14)21(25)24-23-13-17-12-22-20-18-5-3-2-4-15(18)10-11-19(17)20/h2-13,22H,1H3,(H,24,25)
InChIKeyQTZXGJSMLCTAJZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.39
Rot. Bonds3

About N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide

N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide (PubChem CID 136593729) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide
PubChem CID136593729
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC NameN-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2c[nH]c3c2ccc2ccccc23)cc1
InChIInChI=1S/C21H17N3O/c1-14-6-8-16(9-7-14)21(25)24-23-13-17-12-22-20-18-5-3-2-4-15(18)10-11-19(17)20/h2-13,22H,1H3,(H,24,25)
InChIKeyQTZXGJSMLCTAJZ-UHFFFAOYSA-N
XLogP4.39
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.39
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

4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide
CID 135647006
N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide
CID 3526292
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136612344
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135702030
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-4-oxobutanamide
CID 172933261
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135785166

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide?
The IUPAC name of N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide (CID 136593729) is N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide.
What is the SMILES notation for N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide?
The canonical SMILES for N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide is Cc1ccc(C(=O)NN=Cc2c[nH]c3c2ccc2ccccc23)cc1.
What is the InChIKey of N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide?
The InChIKey is QTZXGJSMLCTAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-14-6-8-16(9-7-14)21(25)24-23-13-17-12-22-20-18-5-3-2-4-15(18)10-11-19(17)20/h2-13,22H,1H3,(H,24,25).
What are the key properties of N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide?
N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide has a molecular weight of 327.39 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide is sourced from PubChem (CID 136593729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).