(2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide

C18H15Cl2NO3 — CID 46930324

IUPAC(2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C18H15Cl2NO3/c1-2-3-4-5-18(23)21-13-7-9-17(15(22)11-13)24-16-8-6-12(19)10-14(16)20/h2-11,22H,1H3,(H,21,23)/b3-2+,5-4+
InChIKeyCPKNZNHZSRMQEX-MQQKCMAXSA-N
MW364.23 g/mol
LogP5.56
Rot. Bonds5

About (2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide

(2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide (PubChem CID 46930324) has the molecular formula C18H15Cl2NO3 and a molecular weight of 364.23 g/mol. Its IUPAC name is (2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide
PubChem CID46930324
Molecular FormulaC18H15Cl2NO3
Molecular Weight364.23 g/mol
Exact Mass363.04
IUPAC Name(2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C18H15Cl2NO3/c1-2-3-4-5-18(23)21-13-7-9-17(15(22)11-13)24-16-8-6-12(19)10-14(16)20/h2-11,22H,1H3,(H,21,23)/b3-2+,5-4+
InChIKeyCPKNZNHZSRMQEX-MQQKCMAXSA-N
XLogP5.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.23
LogP ≤ 55.56
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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Related Compounds

N-(4-(2,4-Dichlorophenoxy)phenyl)acetamide
CID 3017018
4-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 2789890
2-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 2900077
N-[3-chloro-4-(4-chloro-2-hydroxy-phenoxy)phenyl]acetamide
CID 11674015
(2E,4E)-N-[4-(4-chloro-2-hydroxy-phenoxy)phenyl]hexa-2,4-dienamide
CID 46930322
N-(4-(2,4,6-Trichlorophenoxy)phenyl)acetamide
CID 150673
N-(4-(4-Chloro-2-hydroxyphenoxy)phenyl)acetamide
CID 52949249
2-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)acetamide
CID 836668
2-(2-Chloro-4-fluoro-5-methoxycarbonylaminophenoxy)phenol
CID 18759303
N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]acetamide
CID 18759319
1-[2-Chloro-5-(2,4-dichlorophenoxy)-4-hydroxyphenyl]-3-(4-fluorophenyl)-1-sulfanylurea
CID 87786383
2-(2,4-Dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 601422

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide (CID 46930324) is (2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1.
What is the InChIKey of (2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide?
The InChIKey is CPKNZNHZSRMQEX-MQQKCMAXSA-N. The full InChI is InChI=1S/C18H15Cl2NO3/c1-2-3-4-5-18(23)21-13-7-9-17(15(22)11-13)24-16-8-6-12(19)10-14(16)20/h2-11,22H,1H3,(H,21,23)/b3-2+,5-4+.
What are the key properties of (2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide?
(2E,4E)-N-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide has a molecular weight of 364.23 g/mol, XLogP of 5.56, 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-(2,4-dichlorophenoxy)-3-hydroxyphenyl]hexa-2,4-dienamide is sourced from PubChem (CID 46930324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).