(2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide

C18H16ClNO3 — CID 46930322

IUPAC(2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(Oc2ccc(Cl)cc2O)cc1
InChIInChI=1S/C18H16ClNO3/c1-2-3-4-5-18(22)20-14-7-9-15(10-8-14)23-17-11-6-13(19)12-16(17)21/h2-12,21H,1H3,(H,20,22)/b3-2+,5-4+
InChIKeyHWGQVNFPRPGVED-MQQKCMAXSA-N
MW329.78 g/mol
LogP4.91
Rot. Bonds5

About (2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide

(2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide (PubChem CID 46930322) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is (2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide
PubChem CID46930322
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name(2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(Oc2ccc(Cl)cc2O)cc1
InChIInChI=1S/C18H16ClNO3/c1-2-3-4-5-18(22)20-14-7-9-15(10-8-14)23-17-11-6-13(19)12-16(17)21/h2-12,21H,1H3,(H,20,22)/b3-2+,5-4+
InChIKeyHWGQVNFPRPGVED-MQQKCMAXSA-N
XLogP4.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide (CID 46930322) is (2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(Oc2ccc(Cl)cc2O)cc1.
What is the InChIKey of (2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide?
The InChIKey is HWGQVNFPRPGVED-MQQKCMAXSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-2-3-4-5-18(22)20-14-7-9-15(10-8-14)23-17-11-6-13(19)12-16(17)21/h2-12,21H,1H3,(H,20,22)/b3-2+,5-4+.
What are the key properties of (2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide?
(2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide has a molecular weight of 329.78 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[4-(4-chloro-2-hydroxyphenoxy)phenyl]hexa-2,4-dienamide is sourced from PubChem (CID 46930322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).