N-[(2,4,6-tribromophenyl)methyl]prop-2-enamide

C10H8Br3NO — CID 141489113

IUPACN-[(2,4,6-tribromophenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C10H8Br3NO/c1-2-10(15)14-5-7-8(12)3-6(11)4-9(7)13/h2-4H,1,5H2,(H,14,15)
InChIKeyRHGQXDCPQNSTJB-UHFFFAOYSA-N
MW397.89 g/mol
LogP3.78
Rot. Bonds3

About N-[(2,4,6-tribromophenyl)methyl]prop-2-enamide

N-[(2,4,6-tribromophenyl)methyl]prop-2-enamide (PubChem CID 141489113) has the molecular formula C10H8Br3NO and a molecular weight of 397.89 g/mol. Its IUPAC name is N-[(2,4,6-tribromophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2,4,6-tribromophenyl)methyl]prop-2-enamide
PubChem CID141489113
Molecular FormulaC10H8Br3NO
Molecular Weight397.89 g/mol
Exact Mass394.82
IUPAC NameN-[(2,4,6-tribromophenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C10H8Br3NO/c1-2-10(15)14-5-7-8(12)3-6(11)4-9(7)13/h2-4H,1,5H2,(H,14,15)
InChIKeyRHGQXDCPQNSTJB-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2,4,6-tribromophenyl)methyl]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-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide
CID 166405845
methyl prop-2-enoate;2,4,6-tribromophenol
CID 67859466
5-bromo-2-methyl-N-[2-(prop-2-enoylamino)ethyl]benzamide
CID 71998630
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enamide
CID 21163605
N-(1,3-thiazol-4-ylmethyl)prop-2-enamide
CID 63831538
N-(1,2-thiazol-3-ylmethyl)prop-2-enamide
CID 166406497
N-[(2-methylphenyl)methyl]prop-2-enamide
CID 43616523
CID 173161904
CID 173161904
3-[(prop-2-enoylamino)methyl]benzamide
CID 61250831
1,3-bis(2,4,6-tribromophenoxy)propan-2-yl prop-2-enoate
CID 23070524
N-[(5-cyanofuran-2-yl)methyl]prop-2-enamide
CID 166410197
N-[(2R)-2-(3-bromo-4-fluorophenyl)-2-hydroxyethyl]prop-2-enamide
CID 166414364

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-tribromophenyl)methyl]prop-2-enamide?
The IUPAC name of N-[(2,4,6-tribromophenyl)methyl]prop-2-enamide (CID 141489113) is N-[(2,4,6-tribromophenyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(2,4,6-tribromophenyl)methyl]prop-2-enamide?
The canonical SMILES for N-[(2,4,6-tribromophenyl)methyl]prop-2-enamide is C=CC(=O)NCc1c(Br)cc(Br)cc1Br.
What is the InChIKey of N-[(2,4,6-tribromophenyl)methyl]prop-2-enamide?
The InChIKey is RHGQXDCPQNSTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br3NO/c1-2-10(15)14-5-7-8(12)3-6(11)4-9(7)13/h2-4H,1,5H2,(H,14,15).
What are the key properties of N-[(2,4,6-tribromophenyl)methyl]prop-2-enamide?
N-[(2,4,6-tribromophenyl)methyl]prop-2-enamide has a molecular weight of 397.89 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-tribromophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 141489113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).