(E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

C23H25ClFN3O2 — CID 24611582

IUPAC(E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESCN(C)C(CNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C23H25ClFN3O2/c1-27(2)20(23-18(24)5-3-6-19(23)25)15-26-21(29)13-10-16-8-11-17(12-9-16)28-14-4-7-22(28)30/h3,5-6,8-13,20H,4,7,14-15H2,1-2H3,(H,26,29)/b13-10+
InChIKeyUHGKHNXABVEEKY-JLHYYAGUSA-N
MW429.92 g/mol
LogP4.04
Rot. Bonds7

About (E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

(E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (PubChem CID 24611582) has the molecular formula C23H25ClFN3O2 and a molecular weight of 429.92 g/mol. Its IUPAC name is (E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
PubChem CID24611582
Molecular FormulaC23H25ClFN3O2
Molecular Weight429.92 g/mol
Exact Mass429.16
IUPAC Name(E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESCN(C)C(CNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C23H25ClFN3O2/c1-27(2)20(23-18(24)5-3-6-19(23)25)15-26-21(29)13-10-16-8-11-17(12-9-16)28-14-4-7-22(28)30/h3,5-6,8-13,20H,4,7,14-15H2,1-2H3,(H,26,29)/b13-10+
InChIKeyUHGKHNXABVEEKY-JLHYYAGUSA-N
XLogP4.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.92
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]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)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 39002604
(E)-3-(2,6-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 8589365
(E)-N-[2-(4-chlorophenyl)sulfanylethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 55494756
(E)-N-(2-methylsulfonylethyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 60573919
(E)-N-[2-(4-chlorophenoxy)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26126122
N-(2-acetamido-4,5-difluorophenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 76879492
methyl 4-[[[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]methyl]benzoate
CID 17438984
(E)-N-[(3-methoxyphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26050554
(E)-3-(4-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 8716549
1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51325902
(Z)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-(pyrimidin-2-ylamino)ethyl]prop-2-enamide
CID 94161781
(E)-N-(4-chloro-2-methylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 46699334

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (CID 24611582) is (E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is CN(C)C(CNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1)c1c(F)cccc1Cl.
What is the InChIKey of (E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The InChIKey is UHGKHNXABVEEKY-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H25ClFN3O2/c1-27(2)20(23-18(24)5-3-6-19(23)25)15-26-21(29)13-10-16-8-11-17(12-9-16)28-14-4-7-22(28)30/h3,5-6,8-13,20H,4,7,14-15H2,1-2H3,(H,26,29)/b13-10+.
What are the key properties of (E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
(E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide has a molecular weight of 429.92 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 24611582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).