3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide

C19H19ClFNO3 — CID 72685113

IUPAC3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide
SMILESCOCCOc1ccc(F)cc1NC(=O)C=C(C)c1ccccc1Cl
InChIInChI=1S/C19H19ClFNO3/c1-13(15-5-3-4-6-16(15)20)11-19(23)22-17-12-14(21)7-8-18(17)25-10-9-24-2/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)
InChIKeyJEUIRVIZTDRKHU-UHFFFAOYSA-N
MW363.82 g/mol
LogP4.55
Rot. Bonds7

About 3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide

3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide (PubChem CID 72685113) has the molecular formula C19H19ClFNO3 and a molecular weight of 363.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide
PubChem CID72685113
Molecular FormulaC19H19ClFNO3
Molecular Weight363.82 g/mol
Exact Mass363.10
IUPAC Name3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide
SMILESCOCCOc1ccc(F)cc1NC(=O)C=C(C)c1ccccc1Cl
InChIInChI=1S/C19H19ClFNO3/c1-13(15-5-3-4-6-16(15)20)11-19(23)22-17-12-14(21)7-8-18(17)25-10-9-24-2/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)
InChIKeyJEUIRVIZTDRKHU-UHFFFAOYSA-N
XLogP4.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide
CID 86883492
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide
CID 120561554
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102932
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 120561553
5-[5-fluoro-2-(2-methoxyethoxy)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119109702
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
N-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide
CID 18520564
N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide
CID 47310185
2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659443
2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide (CID 72685113) is 3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide is COCCOc1ccc(F)cc1NC(=O)C=C(C)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide?
The InChIKey is JEUIRVIZTDRKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO3/c1-13(15-5-3-4-6-16(15)20)11-19(23)22-17-12-14(21)7-8-18(17)25-10-9-24-2/h3-8,11-12H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide?
3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide has a molecular weight of 363.82 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide is sourced from PubChem (CID 72685113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).