3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid

C19H18F3NO2 — CID 154255503

IUPAC3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NCC=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO2/c20-19(21,22)16-8-3-5-14(13-16)6-4-12-23-17-9-2-1-7-15(17)10-11-18(24)25/h1-9,13,23H,10-12H2,(H,24,25)
InChIKeyVHSKNRLGMHCSAF-UHFFFAOYSA-N
MW349.35 g/mol
LogP4.85
Rot. Bonds7

About 3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid

3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid (PubChem CID 154255503) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid
PubChem CID154255503
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NCC=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO2/c20-19(21,22)16-8-3-5-14(13-16)6-4-12-23-17-9-2-1-7-15(17)10-11-18(24)25/h1-9,13,23H,10-12H2,(H,24,25)
InChIKeyVHSKNRLGMHCSAF-UHFFFAOYSA-N
XLogP4.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid?
The IUPAC name of 3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid (CID 154255503) is 3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid is O=C(O)CCc1ccccc1NCC=Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid?
The InChIKey is VHSKNRLGMHCSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c20-19(21,22)16-8-3-5-14(13-16)6-4-12-23-17-9-2-1-7-15(17)10-11-18(24)25/h1-9,13,23H,10-12H2,(H,24,25).
What are the key properties of 3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid?
3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid has a molecular weight of 349.35 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid is sourced from PubChem (CID 154255503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).