2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide

C20H21ClN2O — CID 113210043

IUPAC2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)C(C)(C)c2c[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C20H21ClN2O/c1-13-5-4-6-14(9-13)11-23-19(24)20(2,3)17-12-22-18-8-7-15(21)10-16(17)18/h4-10,12,22H,11H2,1-3H3,(H,23,24)
InChIKeyWYQDXGYQTGIIAJ-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.72
Rot. Bonds4

About 2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide

2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 113210043) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide
PubChem CID113210043
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)C(C)(C)c2c[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C20H21ClN2O/c1-13-5-4-6-14(9-13)11-23-19(24)20(2,3)17-12-22-18-8-7-15(21)10-16(17)18/h4-10,12,22H,11H2,1-3H3,(H,23,24)
InChIKeyWYQDXGYQTGIIAJ-UHFFFAOYSA-N
XLogP4.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 113210464
N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210204
2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 113210111
2-methyl-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 62847250
N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide
CID 113210103
3-chloro-2,2-dimethyl-N-[(3-methylphenyl)methyl]propanamide
CID 63680580
2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 113210095
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
2-(5-fluoro-1H-indol-3-yl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 113209901
2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 113210456
N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996725
5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110850820

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide (CID 113210043) is 2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CNC(=O)C(C)(C)c2c[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is WYQDXGYQTGIIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-13-5-4-6-14(9-13)11-23-19(24)20(2,3)17-12-22-18-8-7-15(21)10-16(17)18/h4-10,12,22H,11H2,1-3H3,(H,23,24).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide?
2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 340.85 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113210043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).