(Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide

C16H21FN2O2 — CID 51095604

IUPAC(Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide
SMILESCCN(CC)C(=O)CNC(=O)/C=C(/C)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O2/c1-4-19(5-2)16(21)11-18-15(20)10-12(3)13-6-8-14(17)9-7-13/h6-10H,4-5,11H2,1-3H3,(H,18,20)/b12-10-
InChIKeyQVPWZRXHGJCZSP-BENRWUELSA-N
MW292.35 g/mol
LogP2.21
Rot. Bonds6

About (Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide

(Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide (PubChem CID 51095604) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide
PubChem CID51095604
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide
SMILESCCN(CC)C(=O)CNC(=O)/C=C(/C)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O2/c1-4-19(5-2)16(21)11-18-15(20)10-12(3)13-6-8-14(17)9-7-13/h6-10H,4-5,11H2,1-3H3,(H,18,20)/b12-10-
InChIKeyQVPWZRXHGJCZSP-BENRWUELSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide?
The IUPAC name of (Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide (CID 51095604) is (Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide.
What is the SMILES notation for (Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide?
The canonical SMILES for (Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide is CCN(CC)C(=O)CNC(=O)/C=C(/C)c1ccc(F)cc1.
What is the InChIKey of (Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide?
The InChIKey is QVPWZRXHGJCZSP-BENRWUELSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-4-19(5-2)16(21)11-18-15(20)10-12(3)13-6-8-14(17)9-7-13/h6-10H,4-5,11H2,1-3H3,(H,18,20)/b12-10-.
What are the key properties of (Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide?
(Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide has a molecular weight of 292.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide is sourced from PubChem (CID 51095604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).