N-(4-bromophenyl)-4-tert-butylbenzamide

C17H18BrNO — CID 709708

IUPACN-(4-bromophenyl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO/c1-17(2,3)13-6-4-12(5-7-13)16(20)19-15-10-8-14(18)9-11-15/h4-11H,1-3H3,(H,19,20)
InChIKeyMYQHGSXRFSPVTQ-UHFFFAOYSA-N
MW332.24 g/mol
LogP5.00
Rot. Bonds2

About N-(4-bromophenyl)-4-tert-butylbenzamide

N-(4-bromophenyl)-4-tert-butylbenzamide (PubChem CID 709708) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-tert-butylbenzamide
PubChem CID709708
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-(4-bromophenyl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO/c1-17(2,3)13-6-4-12(5-7-13)16(20)19-15-10-8-14(18)9-11-15/h4-11H,1-3H3,(H,19,20)
InChIKeyMYQHGSXRFSPVTQ-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-tert-butylbenzamide?
The IUPAC name of N-(4-bromophenyl)-4-tert-butylbenzamide (CID 709708) is N-(4-bromophenyl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-tert-butylbenzamide?
The canonical SMILES for N-(4-bromophenyl)-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-tert-butylbenzamide?
The InChIKey is MYQHGSXRFSPVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-17(2,3)13-6-4-12(5-7-13)16(20)19-15-10-8-14(18)9-11-15/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(4-bromophenyl)-4-tert-butylbenzamide?
N-(4-bromophenyl)-4-tert-butylbenzamide has a molecular weight of 332.24 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-tert-butylbenzamide is sourced from PubChem (CID 709708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).