N-benzyl-2-bromo-N-tert-butylbenzamide

C18H20BrNO — CID 4539378

IUPACN-benzyl-2-bromo-N-tert-butylbenzamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1ccccc1Br
InChIInChI=1S/C18H20BrNO/c1-18(2,3)20(13-14-9-5-4-6-10-14)17(21)15-11-7-8-12-16(15)19/h4-12H,13H2,1-3H3
InChIKeyYMKOOZUSTFAMIJ-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.89
Rot. Bonds3

About N-benzyl-2-bromo-N-tert-butylbenzamide

N-benzyl-2-bromo-N-tert-butylbenzamide (PubChem CID 4539378) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-tert-butylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-tert-butylbenzamide
PubChem CID4539378
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-benzyl-2-bromo-N-tert-butylbenzamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1ccccc1Br
InChIInChI=1S/C18H20BrNO/c1-18(2,3)20(13-14-9-5-4-6-10-14)17(21)15-11-7-8-12-16(15)19/h4-12H,13H2,1-3H3
InChIKeyYMKOOZUSTFAMIJ-UHFFFAOYSA-N
XLogP4.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-tert-butylbenzamide?
The IUPAC name of N-benzyl-2-bromo-N-tert-butylbenzamide (CID 4539378) is N-benzyl-2-bromo-N-tert-butylbenzamide.
What is the SMILES notation for N-benzyl-2-bromo-N-tert-butylbenzamide?
The canonical SMILES for N-benzyl-2-bromo-N-tert-butylbenzamide is CC(C)(C)N(Cc1ccccc1)C(=O)c1ccccc1Br.
What is the InChIKey of N-benzyl-2-bromo-N-tert-butylbenzamide?
The InChIKey is YMKOOZUSTFAMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-18(2,3)20(13-14-9-5-4-6-10-14)17(21)15-11-7-8-12-16(15)19/h4-12H,13H2,1-3H3.
What are the key properties of N-benzyl-2-bromo-N-tert-butylbenzamide?
N-benzyl-2-bromo-N-tert-butylbenzamide has a molecular weight of 346.27 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-tert-butylbenzamide is sourced from PubChem (CID 4539378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).