4-bromo-N-(4-phenylbutan-2-yl)benzamide

C17H18BrNO — CID 2903019

IUPAC4-bromo-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO/c1-13(7-8-14-5-3-2-4-6-14)19-17(20)15-9-11-16(18)12-10-15/h2-6,9-13H,7-8H2,1H3,(H,19,20)
InChIKeyZDUVVAWZLCQKSN-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.20
Rot. Bonds5

About 4-bromo-N-(4-phenylbutan-2-yl)benzamide

4-bromo-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 2903019) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 4-bromo-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-phenylbutan-2-yl)benzamide
PubChem CID2903019
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name4-bromo-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO/c1-13(7-8-14-5-3-2-4-6-14)19-17(20)15-9-11-16(18)12-10-15/h2-6,9-13H,7-8H2,1H3,(H,19,20)
InChIKeyZDUVVAWZLCQKSN-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(4-phenylbutan-2-yl)benzamide (CID 2903019) is 4-bromo-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(4-phenylbutan-2-yl)benzamide is CC(CCc1ccccc1)NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is ZDUVVAWZLCQKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-13(7-8-14-5-3-2-4-6-14)19-17(20)15-9-11-16(18)12-10-15/h2-6,9-13H,7-8H2,1H3,(H,19,20).
What are the key properties of 4-bromo-N-(4-phenylbutan-2-yl)benzamide?
4-bromo-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 332.24 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 2903019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).