3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide

C21H23BrN2O3 — CID 76856671

IUPAC3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)C=Cc1ccccc1Br
InChIInChI=1S/C21H23BrN2O3/c1-3-14-24(21(26)13-12-16-8-4-5-9-17(16)22)15-20(25)23-18-10-6-7-11-19(18)27-2/h4-13H,3,14-15H2,1-2H3,(H,23,25)
InChIKeyHETIPKZHFZKGBA-UHFFFAOYSA-N
MW431.33 g/mol
LogP4.35
Rot. Bonds8

About 3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide

3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide (PubChem CID 76856671) has the molecular formula C21H23BrN2O3 and a molecular weight of 431.33 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide
PubChem CID76856671
Molecular FormulaC21H23BrN2O3
Molecular Weight431.33 g/mol
Exact Mass430.09
IUPAC Name3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)C=Cc1ccccc1Br
InChIInChI=1S/C21H23BrN2O3/c1-3-14-24(21(26)13-12-16-8-4-5-9-17(16)22)15-20(25)23-18-10-6-7-11-19(18)27-2/h4-13H,3,14-15H2,1-2H3,(H,23,25)
InChIKeyHETIPKZHFZKGBA-UHFFFAOYSA-N
XLogP4.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-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-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide
CID 55754734
(E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide
CID 55485693
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
ethyl 2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]-propylamino]acetate
CID 61012884
2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide
CID 134008468
4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
CID 119267716
methyl 2-[3-(2-methylphenyl)prop-2-enoyl-propylamino]acetate
CID 76912417
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpentanamide;hydrochloride
CID 119267711
(E)-3-(5-bromofuran-2-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylprop-2-enamide
CID 31974354
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
(3S)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7718890
(3R)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7718891

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide?
The IUPAC name of 3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide (CID 76856671) is 3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)C=Cc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide?
The InChIKey is HETIPKZHFZKGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O3/c1-3-14-24(21(26)13-12-16-8-4-5-9-17(16)22)15-20(25)23-18-10-6-7-11-19(18)27-2/h4-13H,3,14-15H2,1-2H3,(H,23,25).
What are the key properties of 3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide?
3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide has a molecular weight of 431.33 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide is sourced from PubChem (CID 76856671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).