(4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide

C14H17ClN2O — CID 78844634

IUPAC(4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=CC(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C14H17ClN2O/c1-4-5-6-7-14(18)16-12-10-11(15)8-9-13(12)17(2)3/h4-10H,1-3H3,(H,16,18)/b5-4+,7-6?
InChIKeyGEHKMCHEPFQUGA-DBYMJTHYSA-N
MW264.76 g/mol
LogP3.48
Rot. Bonds4

About (4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide

(4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide (PubChem CID 78844634) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is (4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide
PubChem CID78844634
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name(4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=CC(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C14H17ClN2O/c1-4-5-6-7-14(18)16-12-10-11(15)8-9-13(12)17(2)3/h4-10H,1-3H3,(H,16,18)/b5-4+,7-6?
InChIKeyGEHKMCHEPFQUGA-DBYMJTHYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.48
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-(5-chloro-2-methylphenyl)hexa-2,4-dienamide
CID 9403286
(E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 55336540
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide
CID 55336201
2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 63110506
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide
CID 113307543
4-chloro-3-[[(2E,4E)-hexa-2,4-dienoyl]amino]benzoic acid
CID 24707804
7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride
CID 119858077

Frequently Asked Questions

What is the IUPAC name of (4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide?
The IUPAC name of (4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide (CID 78844634) is (4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide.
What is the SMILES notation for (4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide?
The canonical SMILES for (4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide is C/C=C/C=CC(=O)Nc1cc(Cl)ccc1N(C)C.
What is the InChIKey of (4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide?
The InChIKey is GEHKMCHEPFQUGA-DBYMJTHYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-4-5-6-7-14(18)16-12-10-11(15)8-9-13(12)17(2)3/h4-10H,1-3H3,(H,16,18)/b5-4+,7-6?.
What are the key properties of (4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide?
(4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide has a molecular weight of 264.76 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide is sourced from PubChem (CID 78844634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).