4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide

C17H17BrClNO — CID 113090383

IUPAC4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17BrClNO/c1-17(2,13-5-9-15(19)10-6-13)11-20-16(21)12-3-7-14(18)8-4-12/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyDFGQDMDNTCJPIJ-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.81
Rot. Bonds4

About 4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide

4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide (PubChem CID 113090383) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
PubChem CID113090383
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17BrClNO/c1-17(2,13-5-9-15(19)10-6-13)11-20-16(21)12-3-7-14(18)8-4-12/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyDFGQDMDNTCJPIJ-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide (CID 113090383) is 4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide is CC(C)(CNC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide?
The InChIKey is DFGQDMDNTCJPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-17(2,13-5-9-15(19)10-6-13)11-20-16(21)12-3-7-14(18)8-4-12/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide?
4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide has a molecular weight of 366.69 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 113090383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).