4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide

C14H16Cl2N2O — CID 103428177

IUPAC4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H16Cl2N2O/c1-17(2)14(19)4-3-6-18-7-5-11-12(16)8-10(15)9-13(11)18/h5,7-9H,3-4,6H2,1-2H3
InChIKeyXXKFHFPRQJEFEZ-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.82
Rot. Bonds4

About 4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide

4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide (PubChem CID 103428177) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide
PubChem CID103428177
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H16Cl2N2O/c1-17(2)14(19)4-3-6-18-7-5-11-12(16)8-10(15)9-13(11)18/h5,7-9H,3-4,6H2,1-2H3
InChIKeyXXKFHFPRQJEFEZ-UHFFFAOYSA-N
XLogP3.82
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide
CID 103428458
6-(4,6-dichloroindol-1-yl)hexanehydrazide
CID 103428130
2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide
CID 103428284
4,6-dichloro-1-(3-ethylsulfonylpropyl)indole
CID 103428287
5-(4,6-dichloroindol-1-yl)pentanenitrile
CID 103428162
4,6-dichloro-1-(2-methylsulfonylethyl)indole
CID 103428479
4,6-dichloro-1-(2-methylsulfanylethyl)indole
CID 103428339
2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 103427962
4,6-dichloro-1-pent-3-ynylindole
CID 103428441
4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole
CID 103428376
methyl 3-(4,6-dichloroindol-1-yl)-2,2-dimethylpropanoate
CID 103427749
4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
CID 103428167

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide (CID 103428177) is 4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide is CN(C)C(=O)CCCn1ccc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide?
The InChIKey is XXKFHFPRQJEFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c1-17(2)14(19)4-3-6-18-7-5-11-12(16)8-10(15)9-13(11)18/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide?
4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide has a molecular weight of 299.20 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide is sourced from PubChem (CID 103428177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).