1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide

C24H25Cl2N3O2 — CID 70029571

IUPAC1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2cc(OCc3c(Cl)cccc3Cl)ccc2n1CCCC#N
InChIInChI=1S/C24H25Cl2N3O2/c1-3-28(4-2)24(30)23-15-17-14-18(10-11-22(17)29(23)13-6-5-12-27)31-16-19-20(25)8-7-9-21(19)26/h7-11,14-15H,3-6,13,16H2,1-2H3
InChIKeyOHZYRLCDFULBRY-UHFFFAOYSA-N
MW458.39 g/mol
LogP6.31
Rot. Bonds9

About 1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide

1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide (PubChem CID 70029571) has the molecular formula C24H25Cl2N3O2 and a molecular weight of 458.39 g/mol. Its IUPAC name is 1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide.

Molecular Properties

Compound Name1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide
PubChem CID70029571
Molecular FormulaC24H25Cl2N3O2
Molecular Weight458.39 g/mol
Exact Mass457.13
IUPAC Name1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2cc(OCc3c(Cl)cccc3Cl)ccc2n1CCCC#N
InChIInChI=1S/C24H25Cl2N3O2/c1-3-28(4-2)24(30)23-15-17-14-18(10-11-22(17)29(23)13-6-5-12-27)31-16-19-20(25)8-7-9-21(19)26/h7-11,14-15H,3-6,13,16H2,1-2H3
InChIKeyOHZYRLCDFULBRY-UHFFFAOYSA-N
XLogP6.31
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.39
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium;1-[(6Z)-6-(benzenesulfonylimino)-6-oxidohexyl]-5-[(2,6-dichlorophenyl)methoxy]indole-2-carboxylate
CID 15970705
7-chloro-N,N-diethyl-1-methylindole-2-carboxamide
CID 110855125
5-bromo-1-butyl-N,N-diethylpyrrolo[2,3-c]pyridine-2-carboxamide
CID 169006404
fluoro (2E)-6-cyano-2-[[5-[(2,6-dichlorophenyl)methoxy]-2-methylphenyl]methylidene]hexanoate
CID 142105011
1-[5-[(2,6-dichlorophenyl)methoxy]-1-(4,4-dihydrazinylbutyl)indol-3-yl]propan-1-one
CID 154653007
4-[5-[(2,6-dichlorophenyl)methoxy]-2-(hydroxymethyl)-1H-indol-3-yl]butanenitrile
CID 70162989
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile
CID 28888239
N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
CID 100750102
7-bromo-N,N,1-triethylindole-2-carboxamide
CID 171663013
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651492
N-[[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]imidazol-4-yl]methyl]acetamide
CID 170608857

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide?
The IUPAC name of 1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide (CID 70029571) is 1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide.
What is the SMILES notation for 1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide?
The canonical SMILES for 1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide is CCN(CC)C(=O)c1cc2cc(OCc3c(Cl)cccc3Cl)ccc2n1CCCC#N.
What is the InChIKey of 1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide?
The InChIKey is OHZYRLCDFULBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O2/c1-3-28(4-2)24(30)23-15-17-14-18(10-11-22(17)29(23)13-6-5-12-27)31-16-19-20(25)8-7-9-21(19)26/h7-11,14-15H,3-6,13,16H2,1-2H3.
What are the key properties of 1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide?
1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide has a molecular weight of 458.39 g/mol, XLogP of 6.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanopropyl)-5-[(2,6-dichlorophenyl)methoxy]-N,N-diethylindole-2-carboxamide is sourced from PubChem (CID 70029571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).