N-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide

C12H8BrClIN3O2 — CID 114584162

IUPACN-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnc(Cl)c(I)c1=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H8BrClIN3O2/c13-7-2-1-3-8(4-7)17-9(19)5-18-6-16-11(14)10(15)12(18)20/h1-4,6H,5H2,(H,17,19)
InChIKeyBAAFIOGIBSOSPO-UHFFFAOYSA-N
MW468.48 g/mol
LogP2.90
Rot. Bonds3

About N-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide

N-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide (PubChem CID 114584162) has the molecular formula C12H8BrClIN3O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide
PubChem CID114584162
Molecular FormulaC12H8BrClIN3O2
Molecular Weight468.48 g/mol
Exact Mass466.85
IUPAC NameN-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnc(Cl)c(I)c1=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H8BrClIN3O2/c13-7-2-1-3-8(4-7)17-9(19)5-18-6-16-11(14)10(15)12(18)20/h1-4,6H,5H2,(H,17,19)
InChIKeyBAAFIOGIBSOSPO-UHFFFAOYSA-N
XLogP2.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide 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

2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 114584066
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 114583395
N-(3-bromophenyl)-2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 50761013
N-(3-bromophenyl)-2-(6-oxo-11-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 50833835
N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165532
ethyl 3-[2-(3-bromoanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 1285762
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
CID 66310621
N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 115616708
N-(3-bromophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 115614106
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
CID 114561806
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 114583560
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 3311632

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide (CID 114584162) is N-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide is O=C(Cn1cnc(Cl)c(I)c1=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is BAAFIOGIBSOSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClIN3O2/c13-7-2-1-3-8(4-7)17-9(19)5-18-6-16-11(14)10(15)12(18)20/h1-4,6H,5H2,(H,17,19).
What are the key properties of N-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide?
N-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 468.48 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 114584162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).