2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide

C14H10BrClN2O2 — CID 103763181

IUPAC2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C14H10BrClN2O2/c15-12-7-9(16)3-6-11(12)14(20)18-10-4-1-8(2-5-10)13(17)19/h1-7H,(H2,17,19)(H,18,20)
InChIKeyGUDBCNJEXBJSMA-UHFFFAOYSA-N
MW353.60 g/mol
LogP3.45
Rot. Bonds3

About 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide

2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide (PubChem CID 103763181) has the molecular formula C14H10BrClN2O2 and a molecular weight of 353.60 g/mol. Its IUPAC name is 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide
PubChem CID103763181
Molecular FormulaC14H10BrClN2O2
Molecular Weight353.60 g/mol
Exact Mass351.96
IUPAC Name2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C14H10BrClN2O2/c15-12-7-9(16)3-6-11(12)14(20)18-10-4-1-8(2-5-10)13(17)19/h1-7H,(H2,17,19)(H,18,20)
InChIKeyGUDBCNJEXBJSMA-UHFFFAOYSA-N
XLogP3.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide?
The IUPAC name of 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide (CID 103763181) is 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide.
What is the SMILES notation for 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide?
The canonical SMILES for 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide is NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide?
The InChIKey is GUDBCNJEXBJSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2/c15-12-7-9(16)3-6-11(12)14(20)18-10-4-1-8(2-5-10)13(17)19/h1-7H,(H2,17,19)(H,18,20).
What are the key properties of 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide?
2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide has a molecular weight of 353.60 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide is sourced from PubChem (CID 103763181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).