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

C14H16ClNO2 — CID 9397804

IUPAC(2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C14H16ClNO2/c1-4-5-6-7-14(17)16-12-8-10(2)11(15)9-13(12)18-3/h4-9H,1-3H3,(H,16,17)/b5-4+,7-6+
InChIKeyWLKHISIHGWWDJD-YTXTXJHMSA-N
MW265.74 g/mol
LogP3.73
Rot. Bonds4

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

(2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide (PubChem CID 9397804) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is (2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide
PubChem CID9397804
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name(2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C14H16ClNO2/c1-4-5-6-7-14(17)16-12-8-10(2)11(15)9-13(12)18-3/h4-9H,1-3H3,(H,16,17)/b5-4+,7-6+
InChIKeyWLKHISIHGWWDJD-YTXTXJHMSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.73
H-Bond Donors ≤ 51
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

(2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide
CID 9439076
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734246
N-(4-chloro-2,5-dimethoxyphenyl)but-2-enamide
CID 2839569
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)prop-2-enamide
CID 9396854
(2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide
CID 33068846
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide
CID 43328804
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide
CID 72688712
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
(2E,4E)-N-(5-chloro-2-methylphenyl)hexa-2,4-dienamide
CID 9403286
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide (CID 9397804) is (2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of (2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide?
The InChIKey is WLKHISIHGWWDJD-YTXTXJHMSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-4-5-6-7-14(17)16-12-8-10(2)11(15)9-13(12)18-3/h4-9H,1-3H3,(H,16,17)/b5-4+,7-6+.
What are the key properties of (2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide?
(2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide has a molecular weight of 265.74 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide is sourced from PubChem (CID 9397804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).