2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid

C19H18F3NO4 — CID 120540878

IUPAC2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid
SMILESCC(Cc1ccc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cc1)C(=O)O
InChIInChI=1S/C19H18F3NO4/c1-12(18(25)26)10-13-2-6-15(7-3-13)23-17(24)11-14-4-8-16(9-5-14)27-19(20,21)22/h2-9,12H,10-11H2,1H3,(H,23,24)(H,25,26)
InChIKeyAUIISQBXSKTRCL-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.03
Rot. Bonds7

About 2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid

2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid (PubChem CID 120540878) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid
PubChem CID120540878
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid
SMILESCC(Cc1ccc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cc1)C(=O)O
InChIInChI=1S/C19H18F3NO4/c1-12(18(25)26)10-13-2-6-15(7-3-13)23-17(24)11-14-4-8-16(9-5-14)27-19(20,21)22/h2-9,12H,10-11H2,1H3,(H,23,24)(H,25,26)
InChIKeyAUIISQBXSKTRCL-UHFFFAOYSA-N
XLogP4.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541324
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
(2S)-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119238043
(2S)-4-methyl-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pentanoic acid
CID 119361872
(2S)-3-methyl-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]butanoic acid
CID 119360442
N-[4-(sulfamoylmethyl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 60541692
2-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18277342
2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120540582
3-[4-[[2-(2,6-dimethoxyphenyl)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120540927
3-[4-[[2-(5-bromothiophen-2-yl)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541133
3-[4-(3-methoxypropanoylamino)phenyl]-2-methylpropanoic acid
CID 120541337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid (CID 120540878) is 2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid is CC(Cc1ccc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid?
The InChIKey is AUIISQBXSKTRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-12(18(25)26)10-13-2-6-15(7-3-13)23-17(24)11-14-4-8-16(9-5-14)27-19(20,21)22/h2-9,12H,10-11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid?
2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid has a molecular weight of 381.35 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 120540878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).