N-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide

C22H25Cl2N3O2 — CID 146493703

IUPACN-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide
SMILESCc1cc(N)cc2c1cc(Cc1c(Cl)ccc(CCOCCNC=O)c1Cl)n2C
InChIInChI=1S/C22H25Cl2N3O2/c1-14-9-16(25)10-21-18(14)11-17(27(21)2)12-19-20(23)4-3-15(22(19)24)5-7-29-8-6-26-13-28/h3-4,9-11,13H,5-8,12,25H2,1-2H3,(H,26,28)
InChIKeyHSOUIKKDGPXFGU-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.27
Rot. Bonds9

About N-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide

N-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide (PubChem CID 146493703) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide
PubChem CID146493703
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC NameN-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide
SMILESCc1cc(N)cc2c1cc(Cc1c(Cl)ccc(CCOCCNC=O)c1Cl)n2C
InChIInChI=1S/C22H25Cl2N3O2/c1-14-9-16(25)10-21-18(14)11-17(27(21)2)12-19-20(23)4-3-15(22(19)24)5-7-29-8-6-26-13-28/h3-4,9-11,13H,5-8,12,25H2,1-2H3,(H,26,28)
InChIKeyHSOUIKKDGPXFGU-UHFFFAOYSA-N
XLogP4.27
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide?
The IUPAC name of N-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide (CID 146493703) is N-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide?
The canonical SMILES for N-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide is Cc1cc(N)cc2c1cc(Cc1c(Cl)ccc(CCOCCNC=O)c1Cl)n2C.
What is the InChIKey of N-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide?
The InChIKey is HSOUIKKDGPXFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-14-9-16(25)10-21-18(14)11-17(27(21)2)12-19-20(23)4-3-15(22(19)24)5-7-29-8-6-26-13-28/h3-4,9-11,13H,5-8,12,25H2,1-2H3,(H,26,28).
What are the key properties of N-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide?
N-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide has a molecular weight of 434.37 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide is sourced from PubChem (CID 146493703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).