2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide

C12H13ClN4O3 — CID 60848687

IUPAC2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C12H13ClN4O3/c13-6-3-8-5(2-11(19)16-8)1-9(6)17-12(20)7(14)4-10(15)18/h1,3,7H,2,4,14H2,(H2,15,18)(H,16,19)(H,17,20)
InChIKeyZMYYZPYRJBBMEF-UHFFFAOYSA-N
MW296.71 g/mol
LogP-0.02
Rot. Bonds4

About 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide

2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide (PubChem CID 60848687) has the molecular formula C12H13ClN4O3 and a molecular weight of 296.71 g/mol. Its IUPAC name is 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide
PubChem CID60848687
Molecular FormulaC12H13ClN4O3
Molecular Weight296.71 g/mol
Exact Mass296.07
IUPAC Name2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C12H13ClN4O3/c13-6-3-8-5(2-11(19)16-8)1-9(6)17-12(20)7(14)4-10(15)18/h1,3,7H,2,4,14H2,(H2,15,18)(H,16,19)(H,17,20)
InChIKeyZMYYZPYRJBBMEF-UHFFFAOYSA-N
XLogP-0.02
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide
CID 43704875
4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide
CID 80543293
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-hydroxypentanamide
CID 79200976
2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 116675395
1-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)cyclopropane-1-carboxamide
CID 65464008
4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide
CID 66240426
methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate
CID 115352612
3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 60849399
2-amino-N-(5-carbamoyl-2-chlorophenyl)butanediamide
CID 60847978
2-amino-N-(2-chloro-5-fluorophenyl)butanediamide
CID 113288249
5-chloro-4-[(2,4-diamino-4-oxobutanoyl)amino]-2-methoxybenzoic acid
CID 61162189
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61273589

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide?
The IUPAC name of 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide (CID 60848687) is 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide.
What is the SMILES notation for 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide?
The canonical SMILES for 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide is NC(=O)CC(N)C(=O)Nc1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide?
The InChIKey is ZMYYZPYRJBBMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3/c13-6-3-8-5(2-11(19)16-8)1-9(6)17-12(20)7(14)4-10(15)18/h1,3,7H,2,4,14H2,(H2,15,18)(H,16,19)(H,17,20).
What are the key properties of 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide?
2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide has a molecular weight of 296.71 g/mol, XLogP of -0.02, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide is sourced from PubChem (CID 60848687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).