methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate

C13H15ClN2O3 — CID 115352612

IUPACmethyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate
SMILESCCC(Nc1cc2c(cc1Cl)NC(=O)C2)C(=O)OC
InChIInChI=1S/C13H15ClN2O3/c1-3-9(13(18)19-2)15-11-4-7-5-12(17)16-10(7)6-8(11)14/h4,6,9,15H,3,5H2,1-2H3,(H,16,17)
InChIKeyYHAHEXCNBFAGKD-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.20
Rot. Bonds4

About methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate

methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate (PubChem CID 115352612) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate
PubChem CID115352612
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Namemethyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate
SMILESCCC(Nc1cc2c(cc1Cl)NC(=O)C2)C(=O)OC
InChIInChI=1S/C13H15ClN2O3/c1-3-9(13(18)19-2)15-11-4-7-5-12(17)16-10(7)6-8(11)14/h4,6,9,15H,3,5H2,1-2H3,(H,16,17)
InChIKeyYHAHEXCNBFAGKD-UHFFFAOYSA-N
XLogP2.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide
CID 80543293
6-chloro-5-(propylamino)-1,3-dihydroindol-2-one
CID 43691797
6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one
CID 43691740
1-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)cyclopropane-1-carboxamide
CID 65464008
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)-4-methylpentanamide
CID 43704875
2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide
CID 60848687
methyl 2-(4-bromo-2-chloroanilino)butanoate
CID 115352382
6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one
CID 106821342
tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate
CID 103821736
2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 116675395
3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 60849399

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate?
The IUPAC name of methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate (CID 115352612) is methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate.
What is the SMILES notation for methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate?
The canonical SMILES for methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate is CCC(Nc1cc2c(cc1Cl)NC(=O)C2)C(=O)OC.
What is the InChIKey of methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate?
The InChIKey is YHAHEXCNBFAGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-3-9(13(18)19-2)15-11-4-7-5-12(17)16-10(7)6-8(11)14/h4,6,9,15H,3,5H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate?
methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate has a molecular weight of 282.73 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate is sourced from PubChem (CID 115352612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).