(E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide

C15H9ClF3NO2 — CID 70681661

IUPAC(E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cc(F)c(F)c(F)c2)cc1Cl)NO
InChIInChI=1S/C15H9ClF3NO2/c16-11-5-9(2-1-8(11)3-4-14(21)20-22)10-6-12(17)15(19)13(18)7-10/h1-7,22H,(H,20,21)/b4-3+
InChIKeyYVJZLDIILSSZKD-ONEGZZNKSA-N
MW327.69 g/mol
LogP3.94
Rot. Bonds3

About (E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 70681661) has the molecular formula C15H9ClF3NO2 and a molecular weight of 327.69 g/mol. Its IUPAC name is (E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID70681661
Molecular FormulaC15H9ClF3NO2
Molecular Weight327.69 g/mol
Exact Mass327.03
IUPAC Name(E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cc(F)c(F)c(F)c2)cc1Cl)NO
InChIInChI=1S/C15H9ClF3NO2/c16-11-5-9(2-1-8(11)3-4-14(21)20-22)10-6-12(17)15(19)13(18)7-10/h1-7,22H,(H,20,21)/b4-3+
InChIKeyYVJZLDIILSSZKD-ONEGZZNKSA-N
XLogP3.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide (CID 70681661) is (E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(-c2cc(F)c(F)c(F)c2)cc1Cl)NO.
What is the InChIKey of (E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is YVJZLDIILSSZKD-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H9ClF3NO2/c16-11-5-9(2-1-8(11)3-4-14(21)20-22)10-6-12(17)15(19)13(18)7-10/h1-7,22H,(H,20,21)/b4-3+.
What are the key properties of (E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 327.69 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-chloro-4-(3,4,5-trifluorophenyl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 70681661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).