2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid

C16H14F3NO4 — CID 163226726

IUPAC2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1C=CC(Oc2ccc(C(F)(F)F)cc2)=CC1
InChIInChI=1S/C16H14F3NO4/c17-16(18,19)11-3-7-13(8-4-11)24-12-5-1-10(2-6-12)15(23)20-9-14(21)22/h1,3-8,10H,2,9H2,(H,20,23)(H,21,22)
InChIKeyJVZARJCOBGNOOK-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.74
Rot. Bonds5

About 2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid

2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid (PubChem CID 163226726) has the molecular formula C16H14F3NO4 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid
PubChem CID163226726
Molecular FormulaC16H14F3NO4
Molecular Weight341.29 g/mol
Exact Mass341.09
IUPAC Name2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1C=CC(Oc2ccc(C(F)(F)F)cc2)=CC1
InChIInChI=1S/C16H14F3NO4/c17-16(18,19)11-3-7-13(8-4-11)24-12-5-1-10(2-6-12)15(23)20-9-14(21)22/h1,3-8,10H,2,9H2,(H,20,23)(H,21,22)
InChIKeyJVZARJCOBGNOOK-UHFFFAOYSA-N
XLogP2.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[2,4-dioxo-1-[[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]piperidine-3-carbonyl]amino]acetic acid
CID 123580714
2-[3-butoxy-5-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-dien-1-yl]methoxy]phenyl]ethane-1,1-diol
CID 162605010
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pentanoic acid
CID 12906025
4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol
CID 71198618
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid
CID 62879277
4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672387
2-[4-(trifluoromethyl)phenyl]bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
CID 174158375
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide
CID 94678482
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid (CID 163226726) is 2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1C=CC(Oc2ccc(C(F)(F)F)cc2)=CC1.
What is the InChIKey of 2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid?
The InChIKey is JVZARJCOBGNOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4/c17-16(18,19)11-3-7-13(8-4-11)24-12-5-1-10(2-6-12)15(23)20-9-14(21)22/h1,3-8,10H,2,9H2,(H,20,23)(H,21,22).
What are the key properties of 2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid?
2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid has a molecular weight of 341.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 163226726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).