2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid

C18H17F3N2O3 — CID 25220023

IUPAC2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid
SMILESO=C(O)CN(CC(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)14-8-6-13(7-9-14)10-22-16(24)11-23(12-17(25)26)15-4-2-1-3-5-15/h1-9H,10-12H2,(H,22,24)(H,25,26)
InChIKeyONZGLYIOTKDIMY-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.91
Rot. Bonds7

About 2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid

2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid (PubChem CID 25220023) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid
PubChem CID25220023
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid
SMILESO=C(O)CN(CC(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)14-8-6-13(7-9-14)10-22-16(24)11-23(12-17(25)26)15-4-2-1-3-5-15/h1-9H,10-12H2,(H,22,24)(H,25,26)
InChIKeyONZGLYIOTKDIMY-UHFFFAOYSA-N
XLogP2.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid
CID 25219996
2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid
CID 62879277
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
6-oxo-6-[[4-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 62880956
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2-(N-[2-(furan-2-ylmethylamino)-2-oxoethyl]anilino)acetic acid
CID 25219998
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
CID 113175125
2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid
CID 55136889
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 146493049
2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134051518
3-amino-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880466

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid?
The IUPAC name of 2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid (CID 25220023) is 2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid is O=C(O)CN(CC(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid?
The InChIKey is ONZGLYIOTKDIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)14-8-6-13(7-9-14)10-22-16(24)11-23(12-17(25)26)15-4-2-1-3-5-15/h1-9H,10-12H2,(H,22,24)(H,25,26).
What are the key properties of 2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid?
2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid has a molecular weight of 366.34 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid is sourced from PubChem (CID 25220023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).