2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide

C19H19ClN2O2 — CID 113210095

IUPAC2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C19H19ClN2O2/c1-19(2,16-11-21-17-9-4-12(20)10-15(16)17)18(23)22-13-5-7-14(24-3)8-6-13/h4-11,21H,1-3H3,(H,22,23)
InChIKeyPSYFYQHHXFSPSQ-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.75
Rot. Bonds4

About 2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide

2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide (PubChem CID 113210095) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
PubChem CID113210095
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C19H19ClN2O2/c1-19(2,16-11-21-17-9-4-12(20)10-15(16)17)18(23)22-13-5-7-14(24-3)8-6-13/h4-11,21H,1-3H3,(H,22,23)
InChIKeyPSYFYQHHXFSPSQ-UHFFFAOYSA-N
XLogP4.75
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide
CID 113210103
N-(5-chloro-2-methoxyphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210235
2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 113210111
methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210529
1-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211000
N-(2,4-dimethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210213
N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210204
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210255
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209071
N-cyclopentyl-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210132
2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 113208305

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide (CID 113210095) is 2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide is COc1ccc(NC(=O)C(C)(C)c2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide?
The InChIKey is PSYFYQHHXFSPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-19(2,16-11-21-17-9-4-12(20)10-15(16)17)18(23)22-13-5-7-14(24-3)8-6-13/h4-11,21H,1-3H3,(H,22,23).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide?
2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide has a molecular weight of 342.83 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 113210095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).