(2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide

C14H16ClNO3 — CID 9439076

IUPAC(2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C14H16ClNO3/c1-4-5-6-7-14(17)16-11-9-12(18-2)10(15)8-13(11)19-3/h4-9H,1-3H3,(H,16,17)/b5-4+,7-6+
InChIKeyMIFBFPNWRISOHB-YTXTXJHMSA-N
MW281.74 g/mol
LogP3.43
Rot. Bonds5

About (2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide

(2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide (PubChem CID 9439076) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is (2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide
PubChem CID9439076
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name(2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C14H16ClNO3/c1-4-5-6-7-14(17)16-11-9-12(18-2)10(15)8-13(11)19-3/h4-9H,1-3H3,(H,16,17)/b5-4+,7-6+
InChIKeyMIFBFPNWRISOHB-YTXTXJHMSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.43
H-Bond Donors ≤ 51
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-chloro-2,5-dimethoxyphenyl)but-2-enamide
CID 2839569
(2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide
CID 9397804
N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 43616303
N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide
CID 72688712
N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbut-2-enamide
CID 19177485
4-(5-chloro-2,4-dimethoxyanilino)-4-oxobut-2-enoic acid
CID 2803499
(2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide
CID 33068846
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84551958
(E)-4-(5-chloro-2,4-dimethoxyanilino)-4-oxobut-2-enoate
CID 6928919
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84551986
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 9438970
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1181184

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide (CID 9439076) is (2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of (2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide?
The InChIKey is MIFBFPNWRISOHB-YTXTXJHMSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-4-5-6-7-14(17)16-11-9-12(18-2)10(15)8-13(11)19-3/h4-9H,1-3H3,(H,16,17)/b5-4+,7-6+.
What are the key properties of (2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide?
(2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide has a molecular weight of 281.74 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide is sourced from PubChem (CID 9439076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).