3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one

C16H15ClN2O — CID 43254913

IUPAC3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one
SMILESCc1ccc(CN2C(=O)C(N)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C16H15ClN2O/c1-10-2-4-11(5-3-10)9-19-14-7-6-12(17)8-13(14)15(18)16(19)20/h2-8,15H,9,18H2,1H3
InChIKeyQLABBIHGCQOJGE-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.20
Rot. Bonds2

About 3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one

3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one (PubChem CID 43254913) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one
PubChem CID43254913
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one
SMILESCc1ccc(CN2C(=O)C(N)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C16H15ClN2O/c1-10-2-4-11(5-3-10)9-19-14-7-6-12(17)8-13(14)15(18)16(19)20/h2-8,15H,9,18H2,1H3
InChIKeyQLABBIHGCQOJGE-UHFFFAOYSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one
CID 99644340
3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-3H-indol-2-one
CID 43254866
3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
CID 43254825
3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
CID 71432564
3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one
CID 43254915
3-amino-5-chloro-1-(3-hydroxypropyl)-3H-indol-2-one
CID 82237163
5-chloro-1-[(3,4-dimethylphenyl)methyl]-3-methyl-3H-indol-2-one
CID 174209684
(3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one
CID 51441524
3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one
CID 43254834
(3S)-3-amino-5-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 98081113
2-(3-amino-5-chloro-2-oxo-3H-indol-1-yl)-N-propan-2-ylacetamide
CID 43254924
3-amino-5-chloro-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
CID 43254864

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one (CID 43254913) is 3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one is Cc1ccc(CN2C(=O)C(N)c3cc(Cl)ccc32)cc1.
What is the InChIKey of 3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one?
The InChIKey is QLABBIHGCQOJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10-2-4-11(5-3-10)9-19-14-7-6-12(17)8-13(14)15(18)16(19)20/h2-8,15H,9,18H2,1H3.
What are the key properties of 3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one?
3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one has a molecular weight of 286.76 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 43254913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).