(5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone

C13H11ClN2OS — CID 62056525

IUPAC(5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
SMILESNc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClN2OS/c14-12-4-3-11(18-12)13(17)16-6-5-8-7-9(15)1-2-10(8)16/h1-4,7H,5-6,15H2
InChIKeyOVQFHFWVWIRGJN-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.19
Rot. Bonds1

About (5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone

(5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone (PubChem CID 62056525) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is (5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
PubChem CID62056525
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name(5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
SMILESNc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClN2OS/c14-12-4-3-11(18-12)13(17)16-6-5-8-7-9(15)1-2-10(8)16/h1-4,7H,5-6,15H2
InChIKeyOVQFHFWVWIRGJN-UHFFFAOYSA-N
XLogP3.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.19
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

(5-chlorothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47168711
(5-chlorothiophen-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840933
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278189
(5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875817
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79976034
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 80644164
(5-amino-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199933
1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane
CID 144637224
(5-amino-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 43248167
(5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone
CID 142623956
5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid
CID 154800655
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66462390

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of (5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone (CID 62056525) is (5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for (5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone is Nc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)s1.
What is the InChIKey of (5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone?
The InChIKey is OVQFHFWVWIRGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c14-12-4-3-11(18-12)13(17)16-6-5-8-7-9(15)1-2-10(8)16/h1-4,7H,5-6,15H2.
What are the key properties of (5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone?
(5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone has a molecular weight of 278.76 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 62056525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).