(E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide

C15H17Cl2NO2 — CID 166628632

IUPAC(E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide
SMILESC=CCCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2NO2/c1-2-3-4-5-10-18(20)15(19)9-7-12-6-8-13(16)11-14(12)17/h2,6-9,11,20H,1,3-5,10H2/b9-7+
InChIKeyFKVDTEYDWWBIAU-VQHVLOKHSA-N
MW314.21 g/mol
LogP4.58
Rot. Bonds7

About (E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide (PubChem CID 166628632) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide
PubChem CID166628632
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide
SMILESC=CCCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2NO2/c1-2-3-4-5-10-18(20)15(19)9-7-12-6-8-13(16)11-14(12)17/h2,6-9,11,20H,1,3-5,10H2/b9-7+
InChIKeyFKVDTEYDWWBIAU-VQHVLOKHSA-N
XLogP4.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide (CID 166628632) is (E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide is C=CCCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide?
The InChIKey is FKVDTEYDWWBIAU-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c1-2-3-4-5-10-18(20)15(19)9-7-12-6-8-13(16)11-14(12)17/h2,6-9,11,20H,1,3-5,10H2/b9-7+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide has a molecular weight of 314.21 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-hex-5-enyl-N-hydroxyprop-2-enamide is sourced from PubChem (CID 166628632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).