(2R)-2-(4-chlorophenyl)pent-4-enamide

C11H12ClNO — CID 11435754

IUPAC(2R)-2-(4-chlorophenyl)pent-4-enamide
SMILESC=CC[C@@H](C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO/c1-2-3-10(11(13)14)8-4-6-9(12)7-5-8/h2,4-7,10H,1,3H2,(H2,13,14)/t10-/m1/s1
InChIKeyNJWJNUMBVJXNJM-SNVBAGLBSA-N
MW209.68 g/mol
LogP2.48
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)pent-4-enamide

(2R)-2-(4-chlorophenyl)pent-4-enamide (PubChem CID 11435754) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)pent-4-enamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)pent-4-enamide
PubChem CID11435754
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name(2R)-2-(4-chlorophenyl)pent-4-enamide
SMILESC=CC[C@@H](C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO/c1-2-3-10(11(13)14)8-4-6-9(12)7-5-8/h2,4-7,10H,1,3H2,(H2,13,14)/t10-/m1/s1
InChIKeyNJWJNUMBVJXNJM-SNVBAGLBSA-N
XLogP2.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Phenylbutanamide
CID 7011
4-(4-Chlorophenyl)piperidine-2,6-dione
CID 2727728
2,2-bis(4-chlorophenyl)-N-hydroxyacetamide
CID 45482643
Glutarimide, 2-(p-chlorobenzyl)-
CID 212772
4-(4-Chlorophenyl)-2-pyrrolidinone
CID 185490
2-Phenylpropionamide, (RS)-
CID 223465
2-(4-Chlorophenyl)acetohydrazide
CID 456734
2-(4-Chlorophenyl)Acetamide
CID 643286
5-(4-chlorophenyl)-N-hydroxypentanamide
CID 11528707
2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 977625
2-Chloro-2-phenylacetamide
CID 344971
2-(Para-chlorophenyl)glycineamide
CID 9834143

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)pent-4-enamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)pent-4-enamide (CID 11435754) is (2R)-2-(4-chlorophenyl)pent-4-enamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)pent-4-enamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)pent-4-enamide is C=CC[C@@H](C(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)pent-4-enamide?
The InChIKey is NJWJNUMBVJXNJM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-2-3-10(11(13)14)8-4-6-9(12)7-5-8/h2,4-7,10H,1,3H2,(H2,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)pent-4-enamide?
(2R)-2-(4-chlorophenyl)pent-4-enamide has a molecular weight of 209.68 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)pent-4-enamide is sourced from PubChem (CID 11435754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).