3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide

C15H20ClN3O2 — CID 60849399

IUPAC3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C15H20ClN3O2/c1-15(2,3)17-5-4-13(20)19-12-6-9-7-14(21)18-11(9)8-10(12)16/h6,8,17H,4-5,7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyFUJUGIWOWQHBNL-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.55
Rot. Bonds4

About 3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide

3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide (PubChem CID 60849399) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
PubChem CID60849399
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C15H20ClN3O2/c1-15(2,3)17-5-4-13(20)19-12-6-9-7-14(21)18-11(9)8-10(12)16/h6,8,17H,4-5,7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyFUJUGIWOWQHBNL-UHFFFAOYSA-N
XLogP2.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-hydroxypentanamide
CID 79200976
6-chloro-5-(propylamino)-1,3-dihydroindol-2-one
CID 43691797
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)-2-piperidin-3-ylacetamide
CID 62676310
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)-2-methylbutanamide
CID 80543293
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
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61273589
methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate
CID 115352612
2-chloro-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)furan-3-carboxamide
CID 106685945

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide (CID 60849399) is 3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide is CC(C)(C)NCCC(=O)Nc1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide?
The InChIKey is FUJUGIWOWQHBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-15(2,3)17-5-4-13(20)19-12-6-9-7-14(21)18-11(9)8-10(12)16/h6,8,17H,4-5,7H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide?
3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide has a molecular weight of 309.80 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide is sourced from PubChem (CID 60849399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).