N-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide

C19H17ClF4N2O2 — CID 11531782

IUPACN-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1c(Cl)cc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C19H17ClF4N2O2/c20-16-11-14(26-4-6-28-7-5-26)10-15(19(22,23)24)18(16)25-17(27)9-12-2-1-3-13(21)8-12/h1-3,8,10-11H,4-7,9H2,(H,25,27)
InChIKeyXSAPBUXDUGPCDB-UHFFFAOYSA-N
MW416.80 g/mol
LogP4.52
Rot. Bonds4

About N-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide

N-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide (PubChem CID 11531782) has the molecular formula C19H17ClF4N2O2 and a molecular weight of 416.80 g/mol. Its IUPAC name is N-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide
PubChem CID11531782
Molecular FormulaC19H17ClF4N2O2
Molecular Weight416.80 g/mol
Exact Mass416.09
IUPAC NameN-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1c(Cl)cc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C19H17ClF4N2O2/c20-16-11-14(26-4-6-28-7-5-26)10-15(19(22,23)24)18(16)25-17(27)9-12-2-1-3-13(21)8-12/h1-3,8,10-11H,4-7,9H2,(H,25,27)
InChIKeyXSAPBUXDUGPCDB-UHFFFAOYSA-N
XLogP4.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.80
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide (CID 11531782) is N-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)Nc1c(Cl)cc(N2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of N-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is XSAPBUXDUGPCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF4N2O2/c20-16-11-14(26-4-6-28-7-5-26)10-15(19(22,23)24)18(16)25-17(27)9-12-2-1-3-13(21)8-12/h1-3,8,10-11H,4-7,9H2,(H,25,27).
What are the key properties of N-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide?
N-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 416.80 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 11531782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).