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

C19H18F3NO3 — CID 119253975

IUPAC2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H18F3NO3/c1-18(2,17(25)26)13-7-9-15(10-8-13)23-16(24)11-12-3-5-14(6-4-12)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,24)(H,25,26)
InChIKeySGCKGWBNYZQOEW-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.25
Rot. Bonds5

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

2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid (PubChem CID 119253975) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
PubChem CID119253975
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H18F3NO3/c1-18(2,17(25)26)13-7-9-15(10-8-13)23-16(24)11-12-3-5-14(6-4-12)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,24)(H,25,26)
InChIKeySGCKGWBNYZQOEW-UHFFFAOYSA-N
XLogP4.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
N-(4-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534873
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38197953
N-[4-(sulfamoylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55548784
2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid
CID 80554847
2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 9207196
N-[4-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27147330
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
2-methyl-2-[4-(pentanoylamino)phenyl]propanoic acid
CID 80554792
2-methyl-2-[4-[3-(methylamino)propanoylamino]phenyl]propanoic acid
CID 80554677
2-(3-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 123188980

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid (CID 119253975) is 2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid is CC(C)(C(=O)O)c1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid?
The InChIKey is SGCKGWBNYZQOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-18(2,17(25)26)13-7-9-15(10-8-13)23-16(24)11-12-3-5-14(6-4-12)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid?
2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid has a molecular weight of 365.35 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 119253975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).