N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide

C22H25Cl2N3O — CID 11949318

IUPACN-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1(N2CCNCC2)CCc2ccccc21
InChIInChI=1S/C22H25Cl2N3O/c1-26(15-16-12-18(23)14-19(24)13-16)21(28)22(27-10-8-25-9-11-27)7-6-17-4-2-3-5-20(17)22/h2-5,12-14,25H,6-11,15H2,1H3
InChIKeyAVGMXEWBALXJOM-UHFFFAOYSA-N
MW418.37 g/mol
LogP3.70
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide

N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide (PubChem CID 11949318) has the molecular formula C22H25Cl2N3O and a molecular weight of 418.37 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
PubChem CID11949318
Molecular FormulaC22H25Cl2N3O
Molecular Weight418.37 g/mol
Exact Mass417.14
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1(N2CCNCC2)CCc2ccccc21
InChIInChI=1S/C22H25Cl2N3O/c1-26(15-16-12-18(23)14-19(24)13-16)21(28)22(27-10-8-25-9-11-27)7-6-17-4-2-3-5-20(17)22/h2-5,12-14,25H,6-11,15H2,1H3
InChIKeyAVGMXEWBALXJOM-UHFFFAOYSA-N
XLogP3.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide (CID 11949318) is N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1(N2CCNCC2)CCc2ccccc21.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide?
The InChIKey is AVGMXEWBALXJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O/c1-26(15-16-12-18(23)14-19(24)13-16)21(28)22(27-10-8-25-9-11-27)7-6-17-4-2-3-5-20(17)22/h2-5,12-14,25H,6-11,15H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide?
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide has a molecular weight of 418.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 11949318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).