N-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide

C23H27F2N3O2 — CID 23147823

IUPACN-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
SMILESCOc1c(F)cc(CN(C)C(=O)C2(N3CCNCC3)Cc3ccccc3C2)cc1F
InChIInChI=1S/C23H27F2N3O2/c1-27(15-16-11-19(24)21(30-2)20(25)12-16)22(29)23(28-9-7-26-8-10-28)13-17-5-3-4-6-18(17)14-23/h3-6,11-12,26H,7-10,13-15H2,1-2H3
InChIKeyYMYGHTOHCZGXOS-UHFFFAOYSA-N
MW415.48 g/mol
LogP2.37
Rot. Bonds5

About N-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide

N-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide (PubChem CID 23147823) has the molecular formula C23H27F2N3O2 and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
PubChem CID23147823
Molecular FormulaC23H27F2N3O2
Molecular Weight415.48 g/mol
Exact Mass415.21
IUPAC NameN-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
SMILESCOc1c(F)cc(CN(C)C(=O)C2(N3CCNCC3)Cc3ccccc3C2)cc1F
InChIInChI=1S/C23H27F2N3O2/c1-27(15-16-11-19(24)21(30-2)20(25)12-16)22(29)23(28-9-7-26-8-10-28)13-17-5-3-4-6-18(17)14-23/h3-6,11-12,26H,7-10,13-15H2,1-2H3
InChIKeyYMYGHTOHCZGXOS-UHFFFAOYSA-N
XLogP2.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide (CID 23147823) is N-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide is COc1c(F)cc(CN(C)C(=O)C2(N3CCNCC3)Cc3ccccc3C2)cc1F.
What is the InChIKey of N-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
The InChIKey is YMYGHTOHCZGXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O2/c1-27(15-16-11-19(24)21(30-2)20(25)12-16)22(29)23(28-9-7-26-8-10-28)13-17-5-3-4-6-18(17)14-23/h3-6,11-12,26H,7-10,13-15H2,1-2H3.
What are the key properties of N-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
N-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 23147823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).