(E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide

C16H19Cl2NO2 — CID 166632761

IUPAC(E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide
SMILESC=CCCCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2NO2/c1-2-3-4-5-6-11-19(21)16(20)10-8-13-7-9-14(17)12-15(13)18/h2,7-10,12,21H,1,3-6,11H2/b10-8+
InChIKeyOXDYWRBZZHAACX-CSKARUKUSA-N
MW328.24 g/mol
LogP4.97
Rot. Bonds8

About (E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide (PubChem CID 166632761) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide
PubChem CID166632761
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide
SMILESC=CCCCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2NO2/c1-2-3-4-5-6-11-19(21)16(20)10-8-13-7-9-14(17)12-15(13)18/h2,7-10,12,21H,1,3-6,11H2/b10-8+
InChIKeyOXDYWRBZZHAACX-CSKARUKUSA-N
XLogP4.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.97
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-hept-6-enyl-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide (CID 166632761) is (E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide is C=CCCCCCN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide?
The InChIKey is OXDYWRBZZHAACX-CSKARUKUSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c1-2-3-4-5-6-11-19(21)16(20)10-8-13-7-9-14(17)12-15(13)18/h2,7-10,12,21H,1,3-6,11H2/b10-8+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-hept-6-enyl-N-hydroxyprop-2-enamide has a molecular weight of 328.24 g/mol, XLogP of 4.97, 8 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-hept-6-enyl-N-hydroxyprop-2-enamide is sourced from PubChem (CID 166632761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).