2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide

C21H16Cl2N2O — CID 58487233

IUPAC2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Cl)CCC3)cn1)c1ccccc1Cl
InChIInChI=1S/C21H16Cl2N2O/c22-18-7-2-1-6-16(18)21(26)25-20-9-8-15(12-24-20)17-10-13-4-3-5-14(13)11-19(17)23/h1-2,6-12H,3-5H2,(H,24,25,26)
InChIKeyRVQRNZDUUIRHCH-UHFFFAOYSA-N
MW383.28 g/mol
LogP5.80
Rot. Bonds3

About 2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide

2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide (PubChem CID 58487233) has the molecular formula C21H16Cl2N2O and a molecular weight of 383.28 g/mol. Its IUPAC name is 2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
PubChem CID58487233
Molecular FormulaC21H16Cl2N2O
Molecular Weight383.28 g/mol
Exact Mass382.06
IUPAC Name2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2cc3c(cc2Cl)CCC3)cn1)c1ccccc1Cl
InChIInChI=1S/C21H16Cl2N2O/c22-18-7-2-1-6-16(18)21(26)25-20-9-8-15(12-24-20)17-10-13-4-3-5-14(13)11-19(17)23/h1-2,6-12H,3-5H2,(H,24,25,26)
InChIKeyRVQRNZDUUIRHCH-UHFFFAOYSA-N
XLogP5.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide (CID 58487233) is 2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide is O=C(Nc1ccc(-c2cc3c(cc2Cl)CCC3)cn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide?
The InChIKey is RVQRNZDUUIRHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O/c22-18-7-2-1-6-16(18)21(26)25-20-9-8-15(12-24-20)17-10-13-4-3-5-14(13)11-19(17)23/h1-2,6-12H,3-5H2,(H,24,25,26).
What are the key properties of 2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide?
2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide has a molecular weight of 383.28 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 58487233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).