5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide

C11H7BrClN3O3 — CID 2148524

IUPAC5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H7BrClN3O3/c12-5-1-2-7(13)6(3-5)10(18)14-8-4-9(17)16-11(19)15-8/h1-4H,(H3,14,15,16,17,18,19)
InChIKeyXDTYIFUZGPNMTI-UHFFFAOYSA-N
MW344.55 g/mol
LogP1.73
Rot. Bonds2

About 5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide

5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide (PubChem CID 2148524) has the molecular formula C11H7BrClN3O3 and a molecular weight of 344.55 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
PubChem CID2148524
Molecular FormulaC11H7BrClN3O3
Molecular Weight344.55 g/mol
Exact Mass342.94
IUPAC Name5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H7BrClN3O3/c12-5-1-2-7(13)6(3-5)10(18)14-8-4-9(17)16-11(19)15-8/h1-4H,(H3,14,15,16,17,18,19)
InChIKeyXDTYIFUZGPNMTI-UHFFFAOYSA-N
XLogP1.73
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide 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

5-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide
CID 4173907
3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527085
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
5-bromo-N-(2-bromo-3-chlorophenyl)-2-chlorobenzamide
CID 103479655
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912771
5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide
CID 43378988
5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753152
5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
5-bromo-2-chloro-N-(3-chloro-2-fluorophenyl)benzamide
CID 26897422
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
CID 2268598

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide (CID 2148524) is 5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide is O=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
The InChIKey is XDTYIFUZGPNMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O3/c12-5-1-2-7(13)6(3-5)10(18)14-8-4-9(17)16-11(19)15-8/h1-4H,(H3,14,15,16,17,18,19).
What are the key properties of 5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide?
5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide has a molecular weight of 344.55 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide is sourced from PubChem (CID 2148524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).