N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide

C15H20ClNO — CID 106894183

IUPACN-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCCN(CCCl)C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H20ClNO/c1-2-8-17(9-7-16)15(18)14-10-12-5-3-4-6-13(12)11-14/h3-6,14H,2,7-11H2,1H3
InChIKeyVOXWLRKQJXIJPJ-UHFFFAOYSA-N
MW265.78 g/mol
LogP2.88
Rot. Bonds5

About N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide

N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106894183) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106894183
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCCN(CCCl)C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H20ClNO/c1-2-8-17(9-7-16)15(18)14-10-12-5-3-4-6-13(12)11-14/h3-6,14H,2,7-11H2,1H3
InChIKeyVOXWLRKQJXIJPJ-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide (CID 106894183) is N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide is CCCN(CCCl)C(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is VOXWLRKQJXIJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-8-17(9-7-16)15(18)14-10-12-5-3-4-6-13(12)11-14/h3-6,14H,2,7-11H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide?
N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 265.78 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106894183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).