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

C15H11ClFNO2 — CID 70692229

IUPAC(E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cccc(F)c2)cc1Cl)NO
InChIInChI=1S/C15H11ClFNO2/c16-14-9-12(11-2-1-3-13(17)8-11)5-4-10(14)6-7-15(19)18-20/h1-9,20H,(H,18,19)/b7-6+
InChIKeyZGGHRMDQILXCLN-VOTSOKGWSA-N
MW291.71 g/mol
LogP3.66
Rot. Bonds3

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

(E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 70692229) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is (E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID70692229
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name(E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cccc(F)c2)cc1Cl)NO
InChIInChI=1S/C15H11ClFNO2/c16-14-9-12(11-2-1-3-13(17)8-11)5-4-10(14)6-7-15(19)18-20/h1-9,20H,(H,18,19)/b7-6+
InChIKeyZGGHRMDQILXCLN-VOTSOKGWSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.66
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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Related Compounds

(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
(E)-3-[3-chloro-4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 11508464
2-(3-fluorophenyl)ethyl N-[[(E)-3-(2-chloro-4-fluorophenyl)prop-2-enoyl]amino]carbamate
CID 45109530
1-[2-chloro-4-(3-fluorophenyl)phenyl]ethanone
CID 82770292
3-[4-(3-chloro-4-hydroxyphenyl)phenyl]-N-hydroxyprop-2-enamide
CID 73215251
2-chloro-4-(3-fluorophenyl)benzoate
CID 86307112
(Z)-3-[4-(3-fluorophenyl)phenyl]prop-2-enamide
CID 170876937
3-(5-chloro-2-phenylphenyl)-N-hydroxyprop-2-enamide
CID 151114829
(E)-3-[2-chloro-4-(3,4,5-trichlorophenyl)phenyl]prop-2-enoic acid
CID 134622867
3-[4-[3-(3-chlorophenyl)-3-oxoprop-1-enyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide
CID 73031043
3-[3-chloro-4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 73038212
(E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide
CID 70685929

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide (CID 70692229) is (E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(-c2cccc(F)c2)cc1Cl)NO.
What is the InChIKey of (E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is ZGGHRMDQILXCLN-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c16-14-9-12(11-2-1-3-13(17)8-11)5-4-10(14)6-7-15(19)18-20/h1-9,20H,(H,18,19)/b7-6+.
What are the key properties of (E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 291.71 g/mol, XLogP of 3.66, 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-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 70692229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).