N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C18H12ClF3N2O2 — CID 4916612

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H12ClF3N2O2/c1-9-15(11-4-2-3-5-13(11)23-9)16(25)17(26)24-14-8-10(18(20,21)22)6-7-12(14)19/h2-8,23H,1H3,(H,24,26)
InChIKeyYQEZMPKEFBETTR-UHFFFAOYSA-N
MW380.75 g/mol
LogP4.97
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 4916612) has the molecular formula C18H12ClF3N2O2 and a molecular weight of 380.75 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID4916612
Molecular FormulaC18H12ClF3N2O2
Molecular Weight380.75 g/mol
Exact Mass380.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H12ClF3N2O2/c1-9-15(11-4-2-3-5-13(11)23-9)16(25)17(26)24-14-8-10(18(20,21)22)6-7-12(14)19/h2-8,23H,1H3,(H,24,26)
InChIKeyYQEZMPKEFBETTR-UHFFFAOYSA-N
XLogP4.97
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-2,5-dimethylphenyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 27186880
N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide
CID 108984887
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108967285
N-(4-chlorophenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]oxamide
CID 108987079
4-O-[(1R)-2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2411272
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 6410307
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-(1-phenylethylideneamino)oxamide
CID 3457721
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(3-phenoxyphenyl)acetamide
CID 44596683
2-[5-chloro-2-fluoro-4-[(2-methyl-1H-indole-3-carbonyl)amino]phenyl]acetic acid
CID 142151657
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195277
[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 4884826

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 4916612) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is YQEZMPKEFBETTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O2/c1-9-15(11-4-2-3-5-13(11)23-9)16(25)17(26)24-14-8-10(18(20,21)22)6-7-12(14)19/h2-8,23H,1H3,(H,24,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 380.75 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 4916612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).