(4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone

C19H14ClNOS — CID 20877057

IUPAC(4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCc2cc(-c3ccsc3)ccc21
InChIInChI=1S/C19H14ClNOS/c20-17-4-1-13(2-5-17)19(22)21-9-7-15-11-14(3-6-18(15)21)16-8-10-23-12-16/h1-6,8,10-12H,7,9H2
InChIKeyNEDNZYFIHSGUQO-UHFFFAOYSA-N
MW339.85 g/mol
LogP5.27
Rot. Bonds2

About (4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone

(4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone (PubChem CID 20877057) has the molecular formula C19H14ClNOS and a molecular weight of 339.85 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone
PubChem CID20877057
Molecular FormulaC19H14ClNOS
Molecular Weight339.85 g/mol
Exact Mass339.05
IUPAC Name(4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCc2cc(-c3ccsc3)ccc21
InChIInChI=1S/C19H14ClNOS/c20-17-4-1-13(2-5-17)19(22)21-9-7-15-11-14(3-6-18(15)21)16-8-10-23-12-16/h1-6,8,10-12H,7,9H2
InChIKeyNEDNZYFIHSGUQO-UHFFFAOYSA-N
XLogP5.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.85
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromofuran-2-yl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone
CID 20877058
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
(3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 91813767
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide
CID 60580165
(5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875817
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
5-chloro-2,3-dihydroindole-1-carboxylic acid
CID 68859490
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092575
(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone
CID 47444577
1-(4-chlorophenyl)-N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 2064413
(4-chlorophenyl)-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 44624666

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone (CID 20877057) is (4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCc2cc(-c3ccsc3)ccc21.
What is the InChIKey of (4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is NEDNZYFIHSGUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNOS/c20-17-4-1-13(2-5-17)19(22)21-9-7-15-11-14(3-6-18(15)21)16-8-10-23-12-16/h1-6,8,10-12H,7,9H2.
What are the key properties of (4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone?
(4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 339.85 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-thiophen-3-yl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 20877057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).