N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide

C20H17N3O3 — CID 38112267

IUPACN-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17N3O3/c24-18(15-11-21-16-7-3-1-5-13(15)16)20(26)23-17-8-4-2-6-14(17)19(25)22-12-9-10-12/h1-8,11-12,21H,9-10H2,(H,22,25)(H,23,26)
InChIKeyXHJNIMWNERFCLX-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.88
Rot. Bonds5

About N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide

N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide (PubChem CID 38112267) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
PubChem CID38112267
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17N3O3/c24-18(15-11-21-16-7-3-1-5-13(15)16)20(26)23-17-8-4-2-6-14(17)19(25)22-12-9-10-12/h1-8,11-12,21H,9-10H2,(H,22,25)(H,23,26)
InChIKeyXHJNIMWNERFCLX-UHFFFAOYSA-N
XLogP2.88
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 2470313
N-(2-fluorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2986288
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960361
cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320270
N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide
CID 121021872
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
CID 61230821
2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide
CID 60868065
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide
CID 59008542
N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 34284736

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide (CID 38112267) is N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide is O=C(Nc1ccccc1C(=O)NC1CC1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide?
The InChIKey is XHJNIMWNERFCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-18(15-11-21-16-7-3-1-5-13(15)16)20(26)23-17-8-4-2-6-14(17)19(25)22-12-9-10-12/h1-8,11-12,21H,9-10H2,(H,22,25)(H,23,26).
What are the key properties of N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide?
N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide has a molecular weight of 347.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide is sourced from PubChem (CID 38112267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).