2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide

C17H24ClN3O — CID 113210456

IUPAC2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
SMILESCN(C)CCCNC(=O)C(C)(C)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H24ClN3O/c1-17(2,16(22)19-8-5-9-21(3)4)14-11-20-15-10-12(18)6-7-13(14)15/h6-7,10-11,20H,5,8-9H2,1-4H3,(H,19,22)
InChIKeyPJBOVNZJNBRFAE-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.17
Rot. Bonds6

About 2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide

2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide (PubChem CID 113210456) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
PubChem CID113210456
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
SMILESCN(C)CCCNC(=O)C(C)(C)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H24ClN3O/c1-17(2,16(22)19-8-5-9-21(3)4)14-11-20-15-10-12(18)6-7-13(14)15/h6-7,10-11,20H,5,8-9H2,1-4H3,(H,19,22)
InChIKeyPJBOVNZJNBRFAE-UHFFFAOYSA-N
XLogP3.17
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210302
N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210143
2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 113210455
2-(6-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 113210464
methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210529
1-(7-chloro-4-oxo-1H-quinolin-3-yl)-3-[2-(dimethylamino)ethyl]urea
CID 6490417
2-(6-chloro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
CID 113210482
2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one
CID 113210447
N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210204
1-(6-chloro-1H-indol-3-yl)octan-1-one
CID 43341995
1-(6-chloro-1H-indol-3-yl)heptan-1-one
CID 114752147
CID 170645729
CID 170645729

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide (CID 113210456) is 2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide is CN(C)CCCNC(=O)C(C)(C)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The InChIKey is PJBOVNZJNBRFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-17(2,16(22)19-8-5-9-21(3)4)14-11-20-15-10-12(18)6-7-13(14)15/h6-7,10-11,20H,5,8-9H2,1-4H3,(H,19,22).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide has a molecular weight of 321.85 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide is sourced from PubChem (CID 113210456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).