4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide

C23H18Cl2N2O2 — CID 164611616

IUPAC4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
SMILESO=C(NCc1ccc2c(c1)CCN2C(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl2N2O2/c24-19-7-5-16(6-8-19)22(28)26-14-15-4-9-21-17(12-15)10-11-27(21)23(29)18-2-1-3-20(25)13-18/h1-9,12-13H,10-11,14H2,(H,26,28)
InChIKeyLRWNBFWESQAQCA-UHFFFAOYSA-N
MW425.32 g/mol
LogP5.13
Rot. Bonds4

About 4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide

4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide (PubChem CID 164611616) has the molecular formula C23H18Cl2N2O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
PubChem CID164611616
Molecular FormulaC23H18Cl2N2O2
Molecular Weight425.32 g/mol
Exact Mass424.07
IUPAC Name4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
SMILESO=C(NCc1ccc2c(c1)CCN2C(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl2N2O2/c24-19-7-5-16(6-8-19)22(28)26-14-15-4-9-21-17(12-15)10-11-27(21)23(29)18-2-1-3-20(25)13-18/h1-9,12-13H,10-11,14H2,(H,26,28)
InChIKeyLRWNBFWESQAQCA-UHFFFAOYSA-N
XLogP5.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide (CID 164611616) is 4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide is O=C(NCc1ccc2c(c1)CCN2C(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide?
The InChIKey is LRWNBFWESQAQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O2/c24-19-7-5-16(6-8-19)22(28)26-14-15-4-9-21-17(12-15)10-11-27(21)23(29)18-2-1-3-20(25)13-18/h1-9,12-13H,10-11,14H2,(H,26,28).
What are the key properties of 4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide?
4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide has a molecular weight of 425.32 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(3-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide is sourced from PubChem (CID 164611616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).