N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide

C18H19N3O2 — CID 110744715

IUPACN-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide
SMILESCN1CCc2cc(NC(=O)CNC(=O)c3ccccc3)ccc21
InChIInChI=1S/C18H19N3O2/c1-21-10-9-14-11-15(7-8-16(14)21)20-17(22)12-19-18(23)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,23)(H,20,22)
InChIKeyWRTROZAYWFIGNS-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.05
Rot. Bonds4

About N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide

N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide (PubChem CID 110744715) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide
PubChem CID110744715
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide
SMILESCN1CCc2cc(NC(=O)CNC(=O)c3ccccc3)ccc21
InChIInChI=1S/C18H19N3O2/c1-21-10-9-14-11-15(7-8-16(14)21)20-17(22)12-19-18(23)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,23)(H,20,22)
InChIKeyWRTROZAYWFIGNS-UHFFFAOYSA-N
XLogP2.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 168523549
2-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 110729357
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
5-benzamido-2,3-dihydroindole-1-carboxylic acid
CID 23147979
N-[2-(5-acetyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 110746143
N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 110667684
N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 42504871
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 52681744
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide
CID 6460389
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
CID 110729318

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide (CID 110744715) is N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide is CN1CCc2cc(NC(=O)CNC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is WRTROZAYWFIGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-21-10-9-14-11-15(7-8-16(14)21)20-17(22)12-19-18(23)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide?
N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 110744715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).