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

C18H18ClNO — CID 3060755

IUPAC3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide
SMILESO=C(NCCC1CCc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClNO/c19-16-6-3-5-15(12-16)18(21)20-11-10-14-9-8-13-4-1-2-7-17(13)14/h1-7,12,14H,8-11H2,(H,20,21)
InChIKeyAEIVQVNPRJYLJT-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.19
Rot. Bonds4

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

3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide (PubChem CID 3060755) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide
PubChem CID3060755
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide
SMILESO=C(NCCC1CCc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClNO/c19-16-6-3-5-15(12-16)18(21)20-11-10-14-9-8-13-4-1-2-7-17(13)14/h1-7,12,14H,8-11H2,(H,20,21)
InChIKeyAEIVQVNPRJYLJT-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide (CID 3060755) is 3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide is O=C(NCCC1CCc2ccccc21)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide?
The InChIKey is AEIVQVNPRJYLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c19-16-6-3-5-15(12-16)18(21)20-11-10-14-9-8-13-4-1-2-7-17(13)14/h1-7,12,14H,8-11H2,(H,20,21).
What are the key properties of 3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide?
3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide has a molecular weight of 299.80 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide is sourced from PubChem (CID 3060755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).