N-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide

C23H20ClNO2 — CID 995487

IUPACN-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(COc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C23H20ClNO2/c24-21-6-1-2-7-22(21)25-23(26)18-10-8-16(9-11-18)15-27-20-13-12-17-4-3-5-19(17)14-20/h1-2,6-14H,3-5,15H2,(H,25,26)
InChIKeyZINJKFXCVSVFEX-UHFFFAOYSA-N
MW377.87 g/mol
LogP5.66
Rot. Bonds5

About N-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide

N-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide (PubChem CID 995487) has the molecular formula C23H20ClNO2 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide
PubChem CID995487
Molecular FormulaC23H20ClNO2
Molecular Weight377.87 g/mol
Exact Mass377.12
IUPAC NameN-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(COc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C23H20ClNO2/c24-21-6-1-2-7-22(21)25-23(26)18-10-8-16(9-11-18)15-27-20-13-12-17-4-3-5-19(17)14-20/h1-2,6-14H,3-5,15H2,(H,25,26)
InChIKeyZINJKFXCVSVFEX-UHFFFAOYSA-N
XLogP5.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.87
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide?
The IUPAC name of N-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide (CID 995487) is N-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide is O=C(Nc1ccccc1Cl)c1ccc(COc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide?
The InChIKey is ZINJKFXCVSVFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO2/c24-21-6-1-2-7-22(21)25-23(26)18-10-8-16(9-11-18)15-27-20-13-12-17-4-3-5-19(17)14-20/h1-2,6-14H,3-5,15H2,(H,25,26).
What are the key properties of N-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide?
N-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide has a molecular weight of 377.87 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzamide is sourced from PubChem (CID 995487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).