3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide

C20H20ClFN2O2 — CID 55343844

IUPAC3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C=Cc1cccc(Cl)c1
InChIInChI=1S/C20H20ClFN2O2/c1-2-24(20(26)11-8-15-4-3-5-17(21)12-15)14-19(25)23-13-16-6-9-18(22)10-7-16/h3-12H,2,13-14H2,1H3,(H,23,25)
InChIKeyVDCBVWAJYOLUJF-UHFFFAOYSA-N
MW374.84 g/mol
LogP3.66
Rot. Bonds7

About 3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide

3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide (PubChem CID 55343844) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide
PubChem CID55343844
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C=Cc1cccc(Cl)c1
InChIInChI=1S/C20H20ClFN2O2/c1-2-24(20(26)11-8-15-4-3-5-17(21)12-15)14-19(25)23-13-16-6-9-18(22)10-7-16/h3-12H,2,13-14H2,1H3,(H,23,25)
InChIKeyVDCBVWAJYOLUJF-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]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

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(3-nitrophenyl)prop-2-enamide
CID 4780869
(E)-3-(3-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylprop-2-enamide
CID 55453994
(E)-3-(2-chloro-6-fluorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylprop-2-enamide
CID 16563281
(E)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(4-cyanophenyl)-N-ethylprop-2-enamide
CID 9116101
(E)-3-(5-bromothiophen-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide
CID 26266116
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55618491
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
2-(2-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 26266085
(E)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 18198226
2-(4-chlorophenoxy)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylpropanamide
CID 8960675
(E)-3-(3-bromophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide
CID 24979387
N-(3-chlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112769359

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide?
The IUPAC name of 3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide (CID 55343844) is 3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C=Cc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide?
The InChIKey is VDCBVWAJYOLUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-2-24(20(26)11-8-15-4-3-5-17(21)12-15)14-19(25)23-13-16-6-9-18(22)10-7-16/h3-12H,2,13-14H2,1H3,(H,23,25).
What are the key properties of 3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide?
3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide has a molecular weight of 374.84 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 55343844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).