(E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide

C15H17FN2O2 — CID 2424258

IUPAC(E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCCOCCCNC(=O)/C(C#N)=C/c1ccccc1F
InChIInChI=1S/C15H17FN2O2/c1-2-20-9-5-8-18-15(19)13(11-17)10-12-6-3-4-7-14(12)16/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,18,19)/b13-10+
InChIKeyWUKLEMBVOJAFNR-JLHYYAGUSA-N
MW276.31 g/mol
LogP2.28
Rot. Bonds7

About (E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide

(E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 2424258) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is (E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide
PubChem CID2424258
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name(E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCCOCCCNC(=O)/C(C#N)=C/c1ccccc1F
InChIInChI=1S/C15H17FN2O2/c1-2-20-9-5-8-18-15(19)13(11-17)10-12-6-3-4-7-14(12)16/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,18,19)/b13-10+
InChIKeyWUKLEMBVOJAFNR-JLHYYAGUSA-N
XLogP2.28
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-cyano-N-(3-ethoxypropyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2713691
(E)-2-cyano-N-(3-ethoxypropyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 34352653
(E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 9353270
(E)-3-(4-acetamidophenyl)-2-cyano-N-(3-ethoxypropyl)prop-2-enamide
CID 7481121
(Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide
CID 19183427
(E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(3-ethoxypropyl)prop-2-enamide
CID 18283669
(E)-3-(5-bromothiophen-2-yl)-2-cyano-N-(3-ethoxypropyl)prop-2-enamide
CID 7481140
(Z)-2-cyano-N-(3-ethoxypropyl)-3-(4-phenylpiperazin-1-yl)prop-2-enamide
CID 108834207
(E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide
CID 6214104
(Z)-N-(3-butoxypropyl)-2-cyano-3-[(2-fluorophenyl)methylamino]prop-2-enamide
CID 108837153
3-(2-butoxyphenyl)-2-cyano-N-propylprop-2-enamide
CID 3986173
(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(3-ethoxypropyl)prop-2-enamide
CID 108833942

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide (CID 2424258) is (E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide is CCOCCCNC(=O)/C(C#N)=C/c1ccccc1F.
What is the InChIKey of (E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is WUKLEMBVOJAFNR-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-2-20-9-5-8-18-15(19)13(11-17)10-12-6-3-4-7-14(12)16/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,18,19)/b13-10+.
What are the key properties of (E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide?
(E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 276.31 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 2424258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).