(2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide

C12H12ClNO — CID 7965785

IUPAC(2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H12ClNO/c1-2-3-4-9-12(15)14-11-8-6-5-7-10(11)13/h2-9H,1H3,(H,14,15)/b3-2+,9-4+
InChIKeyWTPVHINXNZVCKB-DSXPNFDZSA-N
MW221.69 g/mol
LogP3.41
Rot. Bonds3

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

(2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide (PubChem CID 7965785) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is (2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide
PubChem CID7965785
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name(2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H12ClNO/c1-2-3-4-9-12(15)14-11-8-6-5-7-10(11)13/h2-9H,1H3,(H,14,15)/b3-2+,9-4+
InChIKeyWTPVHINXNZVCKB-DSXPNFDZSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Propanil
CID 4933
N-(4-Chlorophenyl)acetamide
CID 10871
Chloroacetanilide
CID 11485
N-(3-Chlorophenyl)acetamide
CID 11493
p-Chloroacetoacetanilide
CID 7587
3,4-Dichloroacetanilide
CID 16530
Acetoacetyl-2-chloroanilide
CID 7156
Acetamide, N-(2,5-dichlorophenyl)-
CID 17494
Acetamide, N-(2,4-dichlorophenyl)-
CID 81459
Chloranocryl
CID 16560
o-Chloroacetanilide
CID 10777
2,4'-Dichloroacetanilide
CID 94920

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide (CID 7965785) is (2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide?
The InChIKey is WTPVHINXNZVCKB-DSXPNFDZSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-2-3-4-9-12(15)14-11-8-6-5-7-10(11)13/h2-9H,1H3,(H,14,15)/b3-2+,9-4+.
What are the key properties of (2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide?
(2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide has a molecular weight of 221.69 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-chlorophenyl)hexa-2,4-dienamide is sourced from PubChem (CID 7965785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).