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

C12H13Cl2NO — CID 134122925

IUPAC(E)-N-(3,4-dichlorophenyl)hex-2-enamide
SMILESCCC/C=C/C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2NO/c1-2-3-4-5-12(16)15-9-6-7-10(13)11(14)8-9/h4-8H,2-3H2,1H3,(H,15,16)/b5-4+
InChIKeyKEBXAXWKHBXMCR-SNAWJCMRSA-N
MW258.15 g/mol
LogP4.29
Rot. Bonds4

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

(E)-N-(3,4-dichlorophenyl)hex-2-enamide (PubChem CID 134122925) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is (E)-N-(3,4-dichlorophenyl)hex-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-dichlorophenyl)hex-2-enamide
PubChem CID134122925
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name(E)-N-(3,4-dichlorophenyl)hex-2-enamide
SMILESCCC/C=C/C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2NO/c1-2-3-4-5-12(16)15-9-6-7-10(13)11(14)8-9/h4-8H,2-3H2,1H3,(H,15,16)/b5-4+
InChIKeyKEBXAXWKHBXMCR-SNAWJCMRSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-dichlorophenyl)hex-2-enamide?
The IUPAC name of (E)-N-(3,4-dichlorophenyl)hex-2-enamide (CID 134122925) is (E)-N-(3,4-dichlorophenyl)hex-2-enamide.
What is the SMILES notation for (E)-N-(3,4-dichlorophenyl)hex-2-enamide?
The canonical SMILES for (E)-N-(3,4-dichlorophenyl)hex-2-enamide is CCC/C=C/C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-N-(3,4-dichlorophenyl)hex-2-enamide?
The InChIKey is KEBXAXWKHBXMCR-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-2-3-4-5-12(16)15-9-6-7-10(13)11(14)8-9/h4-8H,2-3H2,1H3,(H,15,16)/b5-4+.
What are the key properties of (E)-N-(3,4-dichlorophenyl)hex-2-enamide?
(E)-N-(3,4-dichlorophenyl)hex-2-enamide has a molecular weight of 258.15 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dichlorophenyl)hex-2-enamide is sourced from PubChem (CID 134122925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).