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

C13H16ClN3O2 — CID 80543293

IUPAC4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H16ClN3O2/c1-7(2-3-15)13(19)17-11-4-8-5-12(18)16-10(8)6-9(11)14/h4,6-7H,2-3,5,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyDKHBCBSPLXDDCE-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.76
Rot. Bonds4

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

4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide (PubChem CID 80543293) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide
PubChem CID80543293
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H16ClN3O2/c1-7(2-3-15)13(19)17-11-4-8-5-12(18)16-10(8)6-9(11)14/h4,6-7H,2-3,5,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyDKHBCBSPLXDDCE-UHFFFAOYSA-N
XLogP1.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.76
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)-4-methylpentanamide
CID 43704875
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-hydroxypentanamide
CID 79200976
2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide
CID 60848687
2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 116675395
4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide
CID 104727116
methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate
CID 115352612
1-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)cyclopropane-1-carboxamide
CID 65464008
4-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylbutanamide
CID 80543534
3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 60849399
6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one
CID 43691740
4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide
CID 80542109
4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 80542372

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide (CID 80543293) is 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide is CC(CCN)C(=O)Nc1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide?
The InChIKey is DKHBCBSPLXDDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-7(2-3-15)13(19)17-11-4-8-5-12(18)16-10(8)6-9(11)14/h4,6-7H,2-3,5,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide?
4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide has a molecular weight of 281.74 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide is sourced from PubChem (CID 80543293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).