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

C16H15ClN2O2 — CID 43646691

IUPAC5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(Cl)cc1CN1C(=O)Cc2cc(N)ccc21
InChIInChI=1S/C16H15ClN2O2/c1-21-15-5-2-12(17)6-11(15)9-19-14-4-3-13(18)7-10(14)8-16(19)20/h2-7H,8-9,18H2,1H3
InChIKeyZZVQEWOVZIKWQS-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.02
Rot. Bonds3

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

5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one (PubChem CID 43646691) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one
PubChem CID43646691
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(Cl)cc1CN1C(=O)Cc2cc(N)ccc21
InChIInChI=1S/C16H15ClN2O2/c1-21-15-5-2-12(17)6-11(15)9-19-14-4-3-13(18)7-10(14)8-16(19)20/h2-7H,8-9,18H2,1H3
InChIKeyZZVQEWOVZIKWQS-UHFFFAOYSA-N
XLogP3.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 82160149
1-[(5-amino-2-methoxyphenyl)methyl]azepane-2,7-dione
CID 43447450
4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione
CID 61328540
2-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114391454
5-amino-1-(sulfanylmethyl)-3H-indol-2-one
CID 115227602
4-[(5-amino-2-oxo-3H-indol-1-yl)methyl]-3-fluorobenzonitrile
CID 43446457
5-amino-1-[(1-methylpyrazol-3-yl)methyl]-3H-indol-2-one
CID 82867141
1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 8851903
5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one
CID 142720889
1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one
CID 114862460
5-amino-1-(3-oxobutyl)-3H-indol-2-one
CID 115235380
1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one
CID 29037776

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one (CID 43646691) is 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one is COc1ccc(Cl)cc1CN1C(=O)Cc2cc(N)ccc21.
What is the InChIKey of 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one?
The InChIKey is ZZVQEWOVZIKWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-21-15-5-2-12(17)6-11(15)9-19-14-4-3-13(18)7-10(14)8-16(19)20/h2-7H,8-9,18H2,1H3.
What are the key properties of 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one?
5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one has a molecular weight of 302.76 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 43646691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).