2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid

C19H17F4NO3 — CID 122109904

IUPAC2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid
SMILESCC(C)(C(=O)Nc1ccc(CC(=O)O)c(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F4NO3/c1-18(2,12-4-3-5-13(9-12)19(21,22)23)17(27)24-14-7-6-11(8-16(25)26)15(20)10-14/h3-7,9-10H,8H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyKAZSUGUUFHPGAH-UHFFFAOYSA-N
MW383.34 g/mol
LogP4.39
Rot. Bonds5

About 2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid

2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid (PubChem CID 122109904) has the molecular formula C19H17F4NO3 and a molecular weight of 383.34 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid
PubChem CID122109904
Molecular FormulaC19H17F4NO3
Molecular Weight383.34 g/mol
Exact Mass383.11
IUPAC Name2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid
SMILESCC(C)(C(=O)Nc1ccc(CC(=O)O)c(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F4NO3/c1-18(2,12-4-3-5-13(9-12)19(21,22)23)17(27)24-14-7-6-11(8-16(25)26)15(20)10-14/h3-7,9-10H,8H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyKAZSUGUUFHPGAH-UHFFFAOYSA-N
XLogP4.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
CID 122109787
2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134626810
N-(6-amino-3-pyridinyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119515907
2-[4-[(2,2-dimethyl-3-phenylmethoxypropanoyl)amino]-2-fluorophenyl]acetic acid
CID 122109601
2-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 125456654
N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide
CID 9096519
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
2-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid
CID 122109874
N-(2-amino-2-methylpropyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide
CID 119628714
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092
2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109585

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid (CID 122109904) is 2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid is CC(C)(C(=O)Nc1ccc(CC(=O)O)c(F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid?
The InChIKey is KAZSUGUUFHPGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4NO3/c1-18(2,12-4-3-5-13(9-12)19(21,22)23)17(27)24-14-7-6-11(8-16(25)26)15(20)10-14/h3-7,9-10H,8H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid?
2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid has a molecular weight of 383.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 122109904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).