(2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide

C14H16ClNO2 — CID 110465762

IUPAC(2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO2/c1-2-3-4-5-14(18)16-10-13(17)11-6-8-12(15)9-7-11/h2-9,13,17H,10H2,1H3,(H,16,18)/b3-2+,5-4+
InChIKeyLKUWLMGGVXULTL-MQQKCMAXSA-N
MW265.74 g/mol
LogP2.62
Rot. Bonds5

About (2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide

(2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide (PubChem CID 110465762) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is (2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide
PubChem CID110465762
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name(2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO2/c1-2-3-4-5-14(18)16-10-13(17)11-6-8-12(15)9-7-11/h2-9,13,17H,10H2,1H3,(H,16,18)/b3-2+,5-4+
InChIKeyLKUWLMGGVXULTL-MQQKCMAXSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide
CID 166414513
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
CID 86076853
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
CID 110885506
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(dimethylamino)-3-methylbutanamide
CID 111107154
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide
CID 110885456
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methylthiourea
CID 14458362
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 23874492
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide
CID 110931236

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide (CID 110465762) is (2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of (2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide?
The InChIKey is LKUWLMGGVXULTL-MQQKCMAXSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-2-3-4-5-14(18)16-10-13(17)11-6-8-12(15)9-7-11/h2-9,13,17H,10H2,1H3,(H,16,18)/b3-2+,5-4+.
What are the key properties of (2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide?
(2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide has a molecular weight of 265.74 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]hexa-2,4-dienamide is sourced from PubChem (CID 110465762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).