2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide

C14H18ClN3O2 — CID 43704875

IUPAC2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C14H18ClN3O2/c1-7(2)3-10(16)14(20)18-12-4-8-5-13(19)17-11(8)6-9(12)15/h4,6-7,10H,3,5,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIISLACBMTKPEBR-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.15
Rot. Bonds4

About 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide

2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide (PubChem CID 43704875) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide
PubChem CID43704875
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C14H18ClN3O2/c1-7(2)3-10(16)14(20)18-12-4-8-5-13(19)17-11(8)6-9(12)15/h4,6-7,10H,3,5,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIISLACBMTKPEBR-UHFFFAOYSA-N
XLogP2.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide
CID 60848687
4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide
CID 80543293
2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 116675395
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-hydroxypentanamide
CID 79200976
3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 60849399
1-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)cyclopropane-1-carboxamide
CID 65464008
methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate
CID 115352612
6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
CID 61083849
4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide
CID 66240426
6-chloro-5-(propylamino)-1,3-dihydroindol-2-one
CID 43691797
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61273589
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 43707417

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide (CID 43704875) is 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide is CC(C)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)-4-methylpentanamide?
The InChIKey is IISLACBMTKPEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-7(2)3-10(16)14(20)18-12-4-8-5-13(19)17-11(8)6-9(12)15/h4,6-7,10H,3,5,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide?
2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide has a molecular weight of 295.77 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide is sourced from PubChem (CID 43704875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).