5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one

C16H13ClN2O2 — CID 65454554

IUPAC5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one
SMILESCc1ccc(N)c(C(=O)c2cc3c(cc2Cl)NC(=O)C3)c1
InChIInChI=1S/C16H13ClN2O2/c1-8-2-3-13(18)11(4-8)16(21)10-5-9-6-15(20)19-14(9)7-12(10)17/h2-5,7H,6,18H2,1H3,(H,19,20)
InChIKeyNUXTUCPCODOUEM-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.96
Rot. Bonds2

About 5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one

5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one (PubChem CID 65454554) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one
PubChem CID65454554
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one
SMILESCc1ccc(N)c(C(=O)c2cc3c(cc2Cl)NC(=O)C3)c1
InChIInChI=1S/C16H13ClN2O2/c1-8-2-3-13(18)11(4-8)16(21)10-5-9-6-15(20)19-14(9)7-12(10)17/h2-5,7H,6,18H2,1H3,(H,19,20)
InChIKeyNUXTUCPCODOUEM-UHFFFAOYSA-N
XLogP2.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one (CID 65454554) is 5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one is Cc1ccc(N)c(C(=O)c2cc3c(cc2Cl)NC(=O)C3)c1.
What is the InChIKey of 5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is NUXTUCPCODOUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-8-2-3-13(18)11(4-8)16(21)10-5-9-6-15(20)19-14(9)7-12(10)17/h2-5,7H,6,18H2,1H3,(H,19,20).
What are the key properties of 5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one?
5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 300.75 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 65454554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).