2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

C19H19ClF3N3O2 — CID 8588758

IUPAC2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C19H19ClF3N3O2/c1-12-3-6-14(7-4-12)24-17(27)10-26(2)11-18(28)25-16-9-13(19(21,22)23)5-8-15(16)20/h3-9H,10-11H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyDWGWGZWRSVUZKF-UHFFFAOYSA-N
MW413.83 g/mol
LogP4.18
Rot. Bonds6

About 2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 8588758) has the molecular formula C19H19ClF3N3O2 and a molecular weight of 413.83 g/mol. Its IUPAC name is 2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID8588758
Molecular FormulaC19H19ClF3N3O2
Molecular Weight413.83 g/mol
Exact Mass413.11
IUPAC Name2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C19H19ClF3N3O2/c1-12-3-6-14(7-4-12)24-17(27)10-26(2)11-18(28)25-16-9-13(19(21,22)23)5-8-15(16)20/h3-9H,10-11H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyDWGWGZWRSVUZKF-UHFFFAOYSA-N
XLogP4.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8711935
2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 109006150
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 24677998
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4535491
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729343
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965256
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethylphenyl)acetamide
CID 100630513
2-[acetyl(tert-butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113166205
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126152377
N-(4-chlorophenyl)-2-[[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167331
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126011263

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 8588758) is 2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of 2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is DWGWGZWRSVUZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O2/c1-12-3-6-14(7-4-12)24-17(27)10-26(2)11-18(28)25-16-9-13(19(21,22)23)5-8-15(16)20/h3-9H,10-11H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 413.83 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8588758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).