N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide

C17H17N3O — CID 11780892

IUPACN-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=C(\N)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H17N3O/c1-12-6-8-14(9-7-12)16(21)19-17(18)20-11-10-13-4-2-3-5-15(13)20/h2-9H,10-11H2,1H3,(H2,18,19,21)
InChIKeyYPVISEZUMCHVIE-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.51
Rot. Bonds1

About N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide

N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide (PubChem CID 11780892) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide.

Molecular Properties

Compound NameN-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide
PubChem CID11780892
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=C(\N)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H17N3O/c1-12-6-8-14(9-7-12)16(21)19-17(18)20-11-10-13-4-2-3-5-15(13)20/h2-9H,10-11H2,1H3,(H2,18,19,21)
InChIKeyYPVISEZUMCHVIE-UHFFFAOYSA-N
XLogP2.51
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide
CID 22149279
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide
CID 22149343
N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503782
N'-ethyl-2,3-dihydroindole-1-carboximidamide
CID 62360655
N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503705
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-methylphenyl)guanidine
CID 111097779
N'-propyl-2,3-dihydroindole-1-carboximidamide
CID 62360656
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198266
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713

Frequently Asked Questions

What is the IUPAC name of N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide?
The IUPAC name of N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide (CID 11780892) is N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide.
What is the SMILES notation for N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide?
The canonical SMILES for N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide is Cc1ccc(C(=O)/N=C(\N)N2CCc3ccccc32)cc1.
What is the InChIKey of N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide?
The InChIKey is YPVISEZUMCHVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-6-8-14(9-7-12)16(21)19-17(18)20-11-10-13-4-2-3-5-15(13)20/h2-9H,10-11H2,1H3,(H2,18,19,21).
What are the key properties of N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide?
N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide is sourced from PubChem (CID 11780892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).