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

C20H21ClN2O2 — CID 113209063

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C20H21ClN2O2/c1-12-9-17(18(25-4)10-15(12)21)23-19(24)20(2,3)14-11-22-16-8-6-5-7-13(14)16/h5-11,22H,1-4H3,(H,23,24)
InChIKeySDTCKRVYAXLLHI-UHFFFAOYSA-N
MW356.85 g/mol
LogP5.05
Rot. Bonds4

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

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide (PubChem CID 113209063) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
PubChem CID113209063
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C20H21ClN2O2/c1-12-9-17(18(25-4)10-15(12)21)23-19(24)20(2,3)14-11-22-16-8-6-5-7-13(14)16/h5-11,22H,1-4H3,(H,23,24)
InChIKeySDTCKRVYAXLLHI-UHFFFAOYSA-N
XLogP5.05
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.85
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209248
[(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 9382415
N-(5-chloro-2-methoxyphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210235
2-(1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113208953
N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209071
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210255
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40810198
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967518
N-(2,4-dimethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210213
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178540
methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113209989

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide (CID 113209063) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide is COc1cc(Cl)c(C)cc1NC(=O)C(C)(C)c1c[nH]c2ccccc12.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is SDTCKRVYAXLLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-12-9-17(18(25-4)10-15(12)21)23-19(24)20(2,3)14-11-22-16-8-6-5-7-13(14)16/h5-11,22H,1-4H3,(H,23,24).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 356.85 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 113209063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).