(E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide

C10H7ClF3NO2 — CID 118726031

IUPAC(E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1Cl)NO
InChIInChI=1S/C10H7ClF3NO2/c11-8-5-7(10(12,13)14)3-1-6(8)2-4-9(16)15-17/h1-5,17H,(H,15,16)/b4-2+
InChIKeyQEVZYMDIBPNXTP-DUXPYHPUSA-N
MW265.62 g/mol
LogP2.88
Rot. Bonds2

About (E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 118726031) has the molecular formula C10H7ClF3NO2 and a molecular weight of 265.62 g/mol. Its IUPAC name is (E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID118726031
Molecular FormulaC10H7ClF3NO2
Molecular Weight265.62 g/mol
Exact Mass265.01
IUPAC Name(E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1Cl)NO
InChIInChI=1S/C10H7ClF3NO2/c11-8-5-7(10(12,13)14)3-1-6(8)2-4-9(16)15-17/h1-5,17H,(H,15,16)/b4-2+
InChIKeyQEVZYMDIBPNXTP-DUXPYHPUSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide (CID 118726031) is (E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(C(F)(F)F)cc1Cl)NO.
What is the InChIKey of (E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is QEVZYMDIBPNXTP-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H7ClF3NO2/c11-8-5-7(10(12,13)14)3-1-6(8)2-4-9(16)15-17/h1-5,17H,(H,15,16)/b4-2+.
What are the key properties of (E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 265.62 g/mol, XLogP of 2.88, 2 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-(trifluoromethyl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 118726031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).