N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide

C18H15ClN2O2 — CID 113207749

IUPACN-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C18H15ClN2O2/c1-11-9-12(19)7-8-15(11)20-18(23)17(22)14-10-21(2)16-6-4-3-5-13(14)16/h3-10H,1-2H3,(H,20,23)
InChIKeyVRMGGBOKDSZIOS-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.96
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide

N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide (PubChem CID 113207749) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
PubChem CID113207749
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C18H15ClN2O2/c1-11-9-12(19)7-8-15(11)20-18(23)17(22)14-10-21(2)16-6-4-3-5-13(14)16/h3-10H,1-2H3,(H,20,23)
InChIKeyVRMGGBOKDSZIOS-UHFFFAOYSA-N
XLogP3.96
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655455
N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207729
2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 113207737
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876
N-(3,4-difluorophenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207817
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
methyl 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]indole-3-carboxylate
CID 34232696
N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide
CID 10542762
N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535276
2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
CID 113207654
2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone
CID 110655508
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide (CID 113207749) is N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide is Cc1cc(Cl)ccc1NC(=O)C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The InChIKey is VRMGGBOKDSZIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11-9-12(19)7-8-15(11)20-18(23)17(22)14-10-21(2)16-6-4-3-5-13(14)16/h3-10H,1-2H3,(H,20,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide has a molecular weight of 326.78 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113207749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).