(7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone

C15H13ClN2O2 — CID 114455583

IUPAC(7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
SMILESNc1cccc2c1N(C(=O)c1ccc(O)c(Cl)c1)CC2
InChIInChI=1S/C15H13ClN2O2/c16-11-8-10(4-5-13(11)19)15(20)18-7-6-9-2-1-3-12(17)14(9)18/h1-5,8,19H,6-7,17H2
InChIKeyWSDGZWZBJARXST-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.83
Rot. Bonds1

About (7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone

(7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone (PubChem CID 114455583) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
PubChem CID114455583
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
SMILESNc1cccc2c1N(C(=O)c1ccc(O)c(Cl)c1)CC2
InChIInChI=1S/C15H13ClN2O2/c16-11-8-10(4-5-13(11)19)15(20)18-7-6-9-2-1-3-12(17)14(9)18/h1-5,8,19H,6-7,17H2
InChIKeyWSDGZWZBJARXST-UHFFFAOYSA-N
XLogP2.83
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 114455702
4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one
CID 114455746
(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114455689
(7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 114455897
(3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 82877379
(7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone
CID 155969335
(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 114455780
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 114455888
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 62266720
(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
CID 114455754
(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone
CID 114455598
(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
CID 114455948

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone (CID 114455583) is (7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone is Nc1cccc2c1N(C(=O)c1ccc(O)c(Cl)c1)CC2.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone?
The InChIKey is WSDGZWZBJARXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-11-8-10(4-5-13(11)19)15(20)18-7-6-9-2-1-3-12(17)14(9)18/h1-5,8,19H,6-7,17H2.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone?
(7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone has a molecular weight of 288.73 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 114455583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).