3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C17H11F3N2O3 — CID 164615800

IUPAC3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2C(F)(F)F)=C1Nc1cccc(O)c1
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)12-7-2-1-6-11(12)13-14(16(25)22-15(13)24)21-9-4-3-5-10(23)8-9/h1-8,23H,(H2,21,22,24,25)
InChIKeySDZGICWQUNHKAE-UHFFFAOYSA-N
MW348.28 g/mol
LogP2.89
Rot. Bonds3

About 3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione

3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 164615800) has the molecular formula C17H11F3N2O3 and a molecular weight of 348.28 g/mol. Its IUPAC name is 3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID164615800
Molecular FormulaC17H11F3N2O3
Molecular Weight348.28 g/mol
Exact Mass348.07
IUPAC Name3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2C(F)(F)F)=C1Nc1cccc(O)c1
InChIInChI=1S/C17H11F3N2O3/c18-17(19,20)12-7-2-1-6-11(12)13-14(16(25)22-15(13)24)21-9-4-3-5-10(23)8-9/h1-8,23H,(H2,21,22,24,25)
InChIKeySDZGICWQUNHKAE-UHFFFAOYSA-N
XLogP2.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Benzamide, N-(3-hydroxyphenyl)-
CID 836140
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(3-hydroxy-phenyl)-acetamide
CID 741524
Flutolanil M-5 HDP
CID 139598089
3-[(3-hydroxyphenyl)amino]-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539465
3-(2-chlorophenyl)-4-[(3-hydroxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539466
3-[(3-hydroxyphenyl)amino]-4-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539467
3-[(3-hydroxyphenyl)amino]-4-(2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539468
3-[(3-hydroxyphenyl)amino]-4-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539470
3-[(3-hydroxyphenyl)amino]-4-(3-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539471
3-(4-chlorophenyl)-4-[(3-hydroxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539472
3-[(3-hydroxyphenyl)amino]-4-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539473

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 164615800) is 3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione is O=C1NC(=O)C(c2ccccc2C(F)(F)F)=C1Nc1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is SDZGICWQUNHKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O3/c18-17(19,20)12-7-2-1-6-11(12)13-14(16(25)22-15(13)24)21-9-4-3-5-10(23)8-9/h1-8,23H,(H2,21,22,24,25).
What are the key properties of 3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 348.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyanilino)-4-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 164615800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).