1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one

C16H15ClN2O — CID 43509234

IUPAC1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one
SMILESCc1c(N)cccc1CN1C(=O)Cc2ccc(Cl)cc21
InChIInChI=1S/C16H15ClN2O/c1-10-12(3-2-4-14(10)18)9-19-15-8-13(17)6-5-11(15)7-16(19)20/h2-6,8H,7,9,18H2,1H3
InChIKeyBMJOPFKDHLEWCB-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.32
Rot. Bonds2

About 1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one

1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one (PubChem CID 43509234) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one.

Molecular Properties

Compound Name1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one
PubChem CID43509234
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one
SMILESCc1c(N)cccc1CN1C(=O)Cc2ccc(Cl)cc21
InChIInChI=1S/C16H15ClN2O/c1-10-12(3-2-4-14(10)18)9-19-15-8-13(17)6-5-11(15)7-16(19)20/h2-6,8H,7,9,18H2,1H3
InChIKeyBMJOPFKDHLEWCB-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-amino-2-methylphenyl)methyl]morpholine-3,5-dione
CID 61311743
6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one
CID 80610232
6-chloro-1-prop-2-ynyl-3H-indol-2-one
CID 61344508
6-chloro-1-(5-oxohexyl)-3H-indol-2-one
CID 62017686
5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one
CID 43646691
5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63571848
3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide
CID 79630982
1-[(3-amino-2-methylphenyl)methyl]-4-ethylpiperazine-2,5-dione
CID 79936349
3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509213
1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one
CID 43349881
6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one
CID 23411070
7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride
CID 119756085

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one?
The IUPAC name of 1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one (CID 43509234) is 1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one.
What is the SMILES notation for 1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one?
The canonical SMILES for 1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one is Cc1c(N)cccc1CN1C(=O)Cc2ccc(Cl)cc21.
What is the InChIKey of 1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one?
The InChIKey is BMJOPFKDHLEWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10-12(3-2-4-14(10)18)9-19-15-8-13(17)6-5-11(15)7-16(19)20/h2-6,8H,7,9,18H2,1H3.
What are the key properties of 1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one?
1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one has a molecular weight of 286.76 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one is sourced from PubChem (CID 43509234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).