1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one

C15H13ClN2O — CID 43349881

IUPAC1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one
SMILESNc1cc(CN2C(=O)Cc3ccccc32)ccc1Cl
InChIInChI=1S/C15H13ClN2O/c16-12-6-5-10(7-13(12)17)9-18-14-4-2-1-3-11(14)8-15(18)19/h1-7H,8-9,17H2
InChIKeyYFENMYQUOJFOAQ-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.01
Rot. Bonds2

About 1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one

1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one (PubChem CID 43349881) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one
PubChem CID43349881
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one
SMILESNc1cc(CN2C(=O)Cc3ccccc32)ccc1Cl
InChIInChI=1S/C15H13ClN2O/c16-12-6-5-10(7-13(12)17)9-18-14-4-2-1-3-11(14)8-15(18)19/h1-7H,8-9,17H2
InChIKeyYFENMYQUOJFOAQ-UHFFFAOYSA-N
XLogP3.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one
CID 29037776
1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one
CID 43350321
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one
CID 82091764
3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium
CID 174756583
1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
CID 141283536
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline
CID 28721399
1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one
CID 43349697
1-benzyl-2-oxo-3H-indole-5-carboxamide
CID 122479775
2-(2-oxo-3H-indol-1-yl)acetamide
CID 840219
1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 1474985
1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide
CID 126769243

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one?
The IUPAC name of 1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one (CID 43349881) is 1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one is Nc1cc(CN2C(=O)Cc3ccccc32)ccc1Cl.
What is the InChIKey of 1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one?
The InChIKey is YFENMYQUOJFOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-12-6-5-10(7-13(12)17)9-18-14-4-2-1-3-11(14)8-15(18)19/h1-7H,8-9,17H2.
What are the key properties of 1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one?
1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one has a molecular weight of 272.74 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 43349881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).