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

C15H10ClF2NO2 — CID 70685928

IUPAC(E)-3-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(F)cc2F)cc1Cl)NO
InChIInChI=1S/C15H10ClF2NO2/c16-13-7-10(12-5-4-11(17)8-14(12)18)2-1-9(13)3-6-15(20)19-21/h1-8,21H,(H,19,20)/b6-3+
InChIKeyLSIXAMUYZYEPTF-ZZXKWVIFSA-N
MW309.70 g/mol
LogP3.80
Rot. Bonds3

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

(E)-3-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 70685928) has the molecular formula C15H10ClF2NO2 and a molecular weight of 309.70 g/mol. Its IUPAC name is (E)-3-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID70685928
Molecular FormulaC15H10ClF2NO2
Molecular Weight309.70 g/mol
Exact Mass309.04
IUPAC Name(E)-3-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(F)cc2F)cc1Cl)NO
InChIInChI=1S/C15H10ClF2NO2/c16-13-7-10(12-5-4-11(17)8-14(12)18)2-1-9(13)3-6-15(20)19-21/h1-8,21H,(H,19,20)/b6-3+
InChIKeyLSIXAMUYZYEPTF-ZZXKWVIFSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 53.80
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-(2,4-difluorophenyl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-hydroxyprop-2-enamide (CID 70685928) is (E)-3-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(-c2ccc(F)cc2F)cc1Cl)NO.
What is the InChIKey of (E)-3-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is LSIXAMUYZYEPTF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H10ClF2NO2/c16-13-7-10(12-5-4-11(17)8-14(12)18)2-1-9(13)3-6-15(20)19-21/h1-8,21H,(H,19,20)/b6-3+.
What are the key properties of (E)-3-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 309.70 g/mol, XLogP of 3.80, 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-(2,4-difluorophenyl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 70685928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).