3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide

C17H14BrCl2NO3 — CID 4192142

IUPAC3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC
InChIInChI=1S/C17H14BrCl2NO3/c1-23-15-8-10(7-12(18)17(15)24-2)3-6-16(22)21-11-4-5-13(19)14(20)9-11/h3-9H,1-2H3,(H,21,22)
InChIKeyWTCOFBNVUMNNGY-UHFFFAOYSA-N
MW431.11 g/mol
LogP5.43
Rot. Bonds5

About 3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide

3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 4192142) has the molecular formula C17H14BrCl2NO3 and a molecular weight of 431.11 g/mol. Its IUPAC name is 3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID4192142
Molecular FormulaC17H14BrCl2NO3
Molecular Weight431.11 g/mol
Exact Mass428.95
IUPAC Name3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC
InChIInChI=1S/C17H14BrCl2NO3/c1-23-15-8-10(7-12(18)17(15)24-2)3-6-16(22)21-11-4-5-13(19)14(20)9-11/h3-9H,1-2H3,(H,21,22)
InChIKeyWTCOFBNVUMNNGY-UHFFFAOYSA-N
XLogP5.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.11
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)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)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
ethyl 4-[3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoylamino]benzoate
CID 4682748
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 807639
(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711
N-(3-chloro-4-methoxyphenyl)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enamide
CID 1116383
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1320377
N-[4-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-2-methylpropanamide
CID 26679759
N-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3338109
propyl 3-[3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoylamino]benzoate
CID 4682877

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of 3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide (CID 4192142) is 3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for 3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide is COc1cc(C=CC(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC.
What is the InChIKey of 3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is WTCOFBNVUMNNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrCl2NO3/c1-23-15-8-10(7-12(18)17(15)24-2)3-6-16(22)21-11-4-5-13(19)14(20)9-11/h3-9H,1-2H3,(H,21,22).
What are the key properties of 3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 431.11 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4,5-dimethoxyphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 4192142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).