(2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide

C14H16ClNO — CID 47101745

IUPAC(2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C14H16ClNO/c1-3-4-5-10-14(17)16-11(2)12-8-6-7-9-13(12)15/h3-11H,1-2H3,(H,16,17)/b4-3+,10-5+
InChIKeyZPVILESPEKWQPW-COBAKMAKSA-N
MW249.74 g/mol
LogP3.65
Rot. Bonds4

About (2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide

(2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide (PubChem CID 47101745) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is (2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide
PubChem CID47101745
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name(2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C14H16ClNO/c1-3-4-5-10-14(17)16-11(2)12-8-6-7-9-13(12)15/h3-11H,1-2H3,(H,16,17)/b4-3+,10-5+
InChIKeyZPVILESPEKWQPW-COBAKMAKSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.65
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

(E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide
CID 132579335
N-[cyano-(2,3-dichlorophenyl)methyl]hexa-2,4-dienamide
CID 72689361
N-[1-(2-methylphenyl)ethyl]but-2-enamide
CID 78906695
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
(E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 78773460
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
(E)-N-[1-(2-chlorophenyl)ethyl]-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 46612539
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81378925
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide (CID 47101745) is (2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)NC(C)c1ccccc1Cl.
What is the InChIKey of (2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide?
The InChIKey is ZPVILESPEKWQPW-COBAKMAKSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-3-4-5-10-14(17)16-11(2)12-8-6-7-9-13(12)15/h3-11H,1-2H3,(H,16,17)/b4-3+,10-5+.
What are the key properties of (2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide?
(2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide has a molecular weight of 249.74 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[1-(2-chlorophenyl)ethyl]hexa-2,4-dienamide is sourced from PubChem (CID 47101745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).