1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea

C19H17F4N3O3 — CID 23729132

IUPAC1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C(=O)N2CCOCC2)c(F)c1
InChIInChI=1S/C19H17F4N3O3/c20-16-11-14(5-6-15(16)17(27)26-7-9-29-10-8-26)25-18(28)24-13-3-1-12(2-4-13)19(21,22)23/h1-6,11H,7-10H2,(H2,24,25,28)
InChIKeyMZGKAPNKYSMPAV-UHFFFAOYSA-N
MW411.36 g/mol
LogP3.96
Rot. Bonds3

About 1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 23729132) has the molecular formula C19H17F4N3O3 and a molecular weight of 411.36 g/mol. Its IUPAC name is 1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID23729132
Molecular FormulaC19H17F4N3O3
Molecular Weight411.36 g/mol
Exact Mass411.12
IUPAC Name1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C(=O)N2CCOCC2)c(F)c1
InChIInChI=1S/C19H17F4N3O3/c20-16-11-14(5-6-15(16)17(27)26-7-9-29-10-8-26)25-18(28)24-13-3-1-12(2-4-13)19(21,22)23/h1-6,11H,7-10H2,(H2,24,25,28)
InChIKeyMZGKAPNKYSMPAV-UHFFFAOYSA-N
XLogP3.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 23729132) is 1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C(=O)N2CCOCC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is MZGKAPNKYSMPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O3/c20-16-11-14(5-6-15(16)17(27)26-7-9-29-10-8-26)25-18(28)24-13-3-1-12(2-4-13)19(21,22)23/h1-6,11H,7-10H2,(H2,24,25,28).
What are the key properties of 1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 411.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 23729132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).