2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C19H18ClF3N2O2 — CID 113161698

IUPAC2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1cccc(C)c1
InChIInChI=1S/C19H18ClF3N2O2/c1-12-4-3-5-14(8-12)10-25(13(2)26)11-18(27)24-17-9-15(19(21,22)23)6-7-16(17)20/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyZOZVNCFJTFNJNC-UHFFFAOYSA-N
MW398.81 g/mol
LogP4.65
Rot. Bonds5

About 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 113161698) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID113161698
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1cccc(C)c1
InChIInChI=1S/C19H18ClF3N2O2/c1-12-4-3-5-14(8-12)10-25(13(2)26)11-18(27)24-17-9-15(19(21,22)23)6-7-16(17)20/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKeyZOZVNCFJTFNJNC-UHFFFAOYSA-N
XLogP4.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161689
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113161666
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide
CID 108945653
2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113168967
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822825
2-[acetyl(3-methoxypropyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113160139
2-[acetyl(tert-butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113166205
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 747189
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965256
2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588758
2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113169161
2-chloro-N-[(3-methylphenyl)methyl]-5-(trifluoromethyl)aniline
CID 28542855

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 113161698) is 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1cccc(C)c1.
What is the InChIKey of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZOZVNCFJTFNJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-12-4-3-5-14(8-12)10-25(13(2)26)11-18(27)24-17-9-15(19(21,22)23)6-7-16(17)20/h3-9H,10-11H2,1-2H3,(H,24,27).
What are the key properties of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 398.81 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113161698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).