5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide

C18H18BrClN2O2 — CID 2603913

IUPAC5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C18H18BrClN2O2/c1-3-22(4-2)18(24)12-5-8-14(9-6-12)21-17(23)15-11-13(19)7-10-16(15)20/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKeyVDLVJNMNJVMDLF-UHFFFAOYSA-N
MW409.71 g/mol
LogP4.84
Rot. Bonds5

About 5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide

5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide (PubChem CID 2603913) has the molecular formula C18H18BrClN2O2 and a molecular weight of 409.71 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide
PubChem CID2603913
Molecular FormulaC18H18BrClN2O2
Molecular Weight409.71 g/mol
Exact Mass408.02
IUPAC Name5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C18H18BrClN2O2/c1-3-22(4-2)18(24)12-5-8-14(9-6-12)21-17(23)15-11-13(19)7-10-16(15)20/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKeyVDLVJNMNJVMDLF-UHFFFAOYSA-N
XLogP4.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.71
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide (CID 2603913) is 5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide?
The InChIKey is VDLVJNMNJVMDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O2/c1-3-22(4-2)18(24)12-5-8-14(9-6-12)21-17(23)15-11-13(19)7-10-16(15)20/h5-11H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide?
5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide has a molecular weight of 409.71 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 2603913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).