5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide

C28H26Cl4N2O2 — CID 90766772

IUPAC5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide
SMILESCOC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2cc(Cl)cc3cc[nH]c23)cc1Cl
InChIInChI=1S/C28H26Cl4N2O2/c1-28(2,36-3)22-6-4-18(13-24(22)31)16-34(11-9-17-5-7-23(30)25(32)12-17)27(35)21-15-20(29)14-19-8-10-33-26(19)21/h4-8,10,12-15,33H,9,11,16H2,1-3H3
InChIKeySREHNEGVOABXTE-UHFFFAOYSA-N
MW564.34 g/mol
LogP8.55
Rot. Bonds8

About 5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide

5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide (PubChem CID 90766772) has the molecular formula C28H26Cl4N2O2 and a molecular weight of 564.34 g/mol. Its IUPAC name is 5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide
PubChem CID90766772
Molecular FormulaC28H26Cl4N2O2
Molecular Weight564.34 g/mol
Exact Mass562.07
IUPAC Name5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide
SMILESCOC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2cc(Cl)cc3cc[nH]c23)cc1Cl
InChIInChI=1S/C28H26Cl4N2O2/c1-28(2,36-3)22-6-4-18(13-24(22)31)16-34(11-9-17-5-7-23(30)25(32)12-17)27(35)21-15-20(29)14-19-8-10-33-26(19)21/h4-8,10,12-15,33H,9,11,16H2,1-3H3
InChIKeySREHNEGVOABXTE-UHFFFAOYSA-N
XLogP8.55
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.34
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide?
The IUPAC name of 5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide (CID 90766772) is 5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide is COC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2cc(Cl)cc3cc[nH]c23)cc1Cl.
What is the InChIKey of 5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide?
The InChIKey is SREHNEGVOABXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl4N2O2/c1-28(2,36-3)22-6-4-18(13-24(22)31)16-34(11-9-17-5-7-23(30)25(32)12-17)27(35)21-15-20(29)14-19-8-10-33-26(19)21/h4-8,10,12-15,33H,9,11,16H2,1-3H3.
What are the key properties of 5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide?
5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide has a molecular weight of 564.34 g/mol, XLogP of 8.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-chloro-4-(2-methoxypropan-2-yl)phenyl]methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 90766772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).