2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide

C19H19ClF3N3O2 — CID 2506743

IUPAC2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CNc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19ClF3N3O2/c20-17-6-3-14(11-16(17)19(21,22)23)24-12-18(27)25-13-1-4-15(5-2-13)26-7-9-28-10-8-26/h1-6,11,24H,7-10,12H2,(H,25,27)
InChIKeyVTVDJWMLJIJKID-UHFFFAOYSA-N
MW413.83 g/mol
LogP4.25
Rot. Bonds5

About 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2506743) has the molecular formula C19H19ClF3N3O2 and a molecular weight of 413.83 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2506743
Molecular FormulaC19H19ClF3N3O2
Molecular Weight413.83 g/mol
Exact Mass413.11
IUPAC Name2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CNc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19ClF3N3O2/c20-17-6-3-14(11-16(17)19(21,22)23)24-12-18(27)25-13-1-4-15(5-2-13)26-7-9-28-10-8-26/h1-6,11,24H,7-10,12H2,(H,25,27)
InChIKeyVTVDJWMLJIJKID-UHFFFAOYSA-N
XLogP4.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 2506743) is 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is VTVDJWMLJIJKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O2/c20-17-6-3-14(11-16(17)19(21,22)23)24-12-18(27)25-13-1-4-15(5-2-13)26-7-9-28-10-8-26/h1-6,11,24H,7-10,12H2,(H,25,27).
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 413.83 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2506743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).