N-(4-chloro-2-fluorophenyl)pent-4-enamide

C11H11ClFNO — CID 155976880

IUPACN-(4-chloro-2-fluorophenyl)pent-4-enamide
SMILESC=CCCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H11ClFNO/c1-2-3-4-11(15)14-10-6-5-8(12)7-9(10)13/h2,5-7H,1,3-4H2,(H,14,15)
InChIKeyUBAJNDQUJPZARU-UHFFFAOYSA-N
MW227.67 g/mol
LogP3.38
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)pent-4-enamide

N-(4-chloro-2-fluorophenyl)pent-4-enamide (PubChem CID 155976880) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)pent-4-enamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)pent-4-enamide
PubChem CID155976880
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC NameN-(4-chloro-2-fluorophenyl)pent-4-enamide
SMILESC=CCCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H11ClFNO/c1-2-3-4-11(15)14-10-6-5-8(12)7-9(10)13/h2,5-7H,1,3-4H2,(H,14,15)
InChIKeyUBAJNDQUJPZARU-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 53.38
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

N-(2,4-dichlorophenyl)pent-4-enamide
CID 121218276
N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-(4-chloro-2-fluorophenyl)-4-hydroxypentanamide
CID 79191552
N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
CID 2165687
5-hydroxy-2-(pent-4-enoylamino)benzoic acid
CID 55102905
N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
N-(4-chloro-2-fluorophenyl)-2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]acetamide
CID 17398186
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822907
N-(2-hydroxy-4-methylphenyl)pent-4-enamide
CID 62677203
3-(4-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423865

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)pent-4-enamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)pent-4-enamide (CID 155976880) is N-(4-chloro-2-fluorophenyl)pent-4-enamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)pent-4-enamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)pent-4-enamide is C=CCCC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)pent-4-enamide?
The InChIKey is UBAJNDQUJPZARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c1-2-3-4-11(15)14-10-6-5-8(12)7-9(10)13/h2,5-7H,1,3-4H2,(H,14,15).
What are the key properties of N-(4-chloro-2-fluorophenyl)pent-4-enamide?
N-(4-chloro-2-fluorophenyl)pent-4-enamide has a molecular weight of 227.67 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)pent-4-enamide is sourced from PubChem (CID 155976880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).