(3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone

C20H14Cl2N2O — CID 91813767

IUPAC(3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCc2cc(-c3ccncc3)ccc21
InChIInChI=1S/C20H14Cl2N2O/c21-17-3-1-16(12-18(17)22)20(25)24-10-7-15-11-14(2-4-19(15)24)13-5-8-23-9-6-13/h1-6,8-9,11-12H,7,10H2
InChIKeyQFTIUYSNVXHZNA-UHFFFAOYSA-N
MW369.25 g/mol
LogP5.26
Rot. Bonds2

About (3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone

(3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone (PubChem CID 91813767) has the molecular formula C20H14Cl2N2O and a molecular weight of 369.25 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
PubChem CID91813767
Molecular FormulaC20H14Cl2N2O
Molecular Weight369.25 g/mol
Exact Mass368.05
IUPAC Name(3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCc2cc(-c3ccncc3)ccc21
InChIInChI=1S/C20H14Cl2N2O/c21-17-3-1-16(12-18(17)22)20(25)24-10-7-15-11-14(2-4-19(15)24)13-5-8-23-9-6-13/h1-6,8-9,11-12H,7,10H2
InChIKeyQFTIUYSNVXHZNA-UHFFFAOYSA-N
XLogP5.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.25
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone (CID 91813767) is (3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCc2cc(-c3ccncc3)ccc21.
What is the InChIKey of (3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is QFTIUYSNVXHZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O/c21-17-3-1-16(12-18(17)22)20(25)24-10-7-15-11-14(2-4-19(15)24)13-5-8-23-9-6-13/h1-6,8-9,11-12H,7,10H2.
What are the key properties of (3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone?
(3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 369.25 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 91813767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).