N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide

C19H20F3N3O3 — CID 4883962

IUPACN-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3N3O3/c1-25(12-18(27)24-15-7-4-8-16(10-15)28-2)11-17(26)23-14-6-3-5-13(9-14)19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBFRFQKRJBQSGTQ-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.22
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide

N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide (PubChem CID 4883962) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide
PubChem CID4883962
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC NameN-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3N3O3/c1-25(12-18(27)24-15-7-4-8-16(10-15)28-2)11-17(26)23-14-6-3-5-13(9-14)19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyBFRFQKRJBQSGTQ-UHFFFAOYSA-N
XLogP3.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide (CID 4883962) is N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide is COc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide?
The InChIKey is BFRFQKRJBQSGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-25(12-18(27)24-15-7-4-8-16(10-15)28-2)11-17(26)23-14-6-3-5-13(9-14)19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide?
N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide has a molecular weight of 395.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide is sourced from PubChem (CID 4883962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).