4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid

C19H19F4NO2 — CID 122046088

IUPAC4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C19H19F4NO2/c20-15-7-6-14(17(11-15)19(21,22)23)12-24-16(8-9-18(25)26)10-13-4-2-1-3-5-13/h1-7,11,16,24H,8-10,12H2,(H,25,26)
InChIKeyQHKKWKZRLLJYNN-UHFFFAOYSA-N
MW369.36 g/mol
LogP4.41
Rot. Bonds8

About 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid

4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid (PubChem CID 122046088) has the molecular formula C19H19F4NO2 and a molecular weight of 369.36 g/mol. Its IUPAC name is 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid
PubChem CID122046088
Molecular FormulaC19H19F4NO2
Molecular Weight369.36 g/mol
Exact Mass369.14
IUPAC Name4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C19H19F4NO2/c20-15-7-6-14(17(11-15)19(21,22)23)12-24-16(8-9-18(25)26)10-13-4-2-1-3-5-13/h1-7,11,16,24H,8-10,12H2,(H,25,26)
InChIKeyQHKKWKZRLLJYNN-UHFFFAOYSA-N
XLogP4.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 122045765
4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511981
4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511898
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120511962
4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000989
(2S)-2-[(2-chloro-4-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610186
4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid
CID 122045704
4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511853
4-[(2-nitrophenyl)methylamino]-5-phenylpentanoic acid
CID 122045850
(2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922865
4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028

Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid (CID 122046088) is 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid?
The InChIKey is QHKKWKZRLLJYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4NO2/c20-15-7-6-14(17(11-15)19(21,22)23)12-24-16(8-9-18(25)26)10-13-4-2-1-3-5-13/h1-7,11,16,24H,8-10,12H2,(H,25,26).
What are the key properties of 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid?
4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid has a molecular weight of 369.36 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122046088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).