N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide

C15H11BrCl2N2O2 — CID 1396132

IUPACN-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
SMILESCOc1c(Cl)cc(Cl)cc1C=CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C15H11BrCl2N2O2/c1-22-15-9(6-11(17)7-12(15)18)2-5-14(21)20-13-4-3-10(16)8-19-13/h2-8H,1H3,(H,19,20,21)
InChIKeyZMTBMOYNZSXKCT-UHFFFAOYSA-N
MW402.08 g/mol
LogP4.81
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide

N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide (PubChem CID 1396132) has the molecular formula C15H11BrCl2N2O2 and a molecular weight of 402.08 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
PubChem CID1396132
Molecular FormulaC15H11BrCl2N2O2
Molecular Weight402.08 g/mol
Exact Mass399.94
IUPAC NameN-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
SMILESCOc1c(Cl)cc(Cl)cc1C=CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C15H11BrCl2N2O2/c1-22-15-9(6-11(17)7-12(15)18)2-5-14(21)20-13-4-3-10(16)8-19-13/h2-8H,1H3,(H,19,20,21)
InChIKeyZMTBMOYNZSXKCT-UHFFFAOYSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.08
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)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-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1395964
(E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1397404
(E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 127123442
3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4004961
N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 800746
methyl 2-[3-(3,5-dichloro-2-methoxyphenyl)prop-2-enoylamino]benzoate
CID 4203326
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1421848
3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 1421909
N-(3-acetylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1422060
(E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 807662
(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)prop-2-enamide
CID 1397507
3-chloro-N-[3-[[(E)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 2066848

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide (CID 1396132) is N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide is COc1c(Cl)cc(Cl)cc1C=CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
The InChIKey is ZMTBMOYNZSXKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2O2/c1-22-15-9(6-11(17)7-12(15)18)2-5-14(21)20-13-4-3-10(16)8-19-13/h2-8H,1H3,(H,19,20,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide has a molecular weight of 402.08 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1396132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).