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

C20H19ClN2O2 — CID 113210103

IUPACN-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C20H19ClN2O2/c1-12(24)13-4-7-15(8-5-13)23-19(25)20(2,3)17-11-22-18-9-6-14(21)10-16(17)18/h4-11,22H,1-3H3,(H,23,25)
InChIKeyZMAOGTOOVOLKKO-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.94
Rot. Bonds4

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

N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide (PubChem CID 113210103) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide
PubChem CID113210103
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C20H19ClN2O2/c1-12(24)13-4-7-15(8-5-13)23-19(25)20(2,3)17-11-22-18-9-6-14(21)10-16(17)18/h4-11,22H,1-3H3,(H,23,25)
InChIKeyZMAOGTOOVOLKKO-UHFFFAOYSA-N
XLogP4.94
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 113210095
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
N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209071
N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968994
N-(5-chloro-2-methoxyphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210235
N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209987
2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 113210043
N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108969771
N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205903
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
CID 113210367

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide (CID 113210103) is N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide is CC(=O)c1ccc(NC(=O)C(C)(C)c2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is ZMAOGTOOVOLKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-12(24)13-4-7-15(8-5-13)23-19(25)20(2,3)17-11-22-18-9-6-14(21)10-16(17)18/h4-11,22H,1-3H3,(H,23,25).
What are the key properties of N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide?
N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 354.84 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 113210103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).