2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide

C17H13Cl2F3N2O2 — CID 18279065

IUPAC2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2F3N2O2/c1-24(16(26)11-7-6-10(18)8-13(11)19)9-15(25)23-14-5-3-2-4-12(14)17(20,21)22/h2-8H,9H2,1H3,(H,23,25)
InChIKeyUHDZKQLVGHESRL-UHFFFAOYSA-N
MW405.20 g/mol
LogP4.72
Rot. Bonds4

About 2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide

2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide (PubChem CID 18279065) has the molecular formula C17H13Cl2F3N2O2 and a molecular weight of 405.20 g/mol. Its IUPAC name is 2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
PubChem CID18279065
Molecular FormulaC17H13Cl2F3N2O2
Molecular Weight405.20 g/mol
Exact Mass404.03
IUPAC Name2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2F3N2O2/c1-24(16(26)11-7-6-10(18)8-13(11)19)9-15(25)23-14-5-3-2-4-12(14)17(20,21)22/h2-8H,9H2,1H3,(H,23,25)
InChIKeyUHDZKQLVGHESRL-UHFFFAOYSA-N
XLogP4.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781
2-hydroxy-N,4-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 31201311
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
2-(2,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357087
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
4-chloro-2-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38768863
2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 38660284
2-chloro-4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38765269
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27252298
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1299985
2-(N-acetyl-3-chloroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113171420
3-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-benzothiophene-2-carboxamide
CID 22831160

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide (CID 18279065) is 2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
The InChIKey is UHDZKQLVGHESRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N2O2/c1-24(16(26)11-7-6-10(18)8-13(11)19)9-15(25)23-14-5-3-2-4-12(14)17(20,21)22/h2-8H,9H2,1H3,(H,23,25).
What are the key properties of 2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide?
2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide has a molecular weight of 405.20 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 18279065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).