N-benzyl-2-(4-bromophenyl)acetamide

C15H14BrNO — CID 670038

IUPACN-benzyl-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCc1ccccc1
InChIInChI=1S/C15H14BrNO/c16-14-8-6-12(7-9-14)10-15(18)17-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18)
InChIKeyKXFWFGCNDQHKRZ-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.31
Rot. Bonds4

About N-benzyl-2-(4-bromophenyl)acetamide

N-benzyl-2-(4-bromophenyl)acetamide (PubChem CID 670038) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is N-benzyl-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-bromophenyl)acetamide
PubChem CID670038
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC NameN-benzyl-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCc1ccccc1
InChIInChI=1S/C15H14BrNO/c16-14-8-6-12(7-9-14)10-15(18)17-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18)
InChIKeyKXFWFGCNDQHKRZ-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-bromophenyl)acetamide?
The IUPAC name of N-benzyl-2-(4-bromophenyl)acetamide (CID 670038) is N-benzyl-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-benzyl-2-(4-bromophenyl)acetamide is O=C(Cc1ccc(Br)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-bromophenyl)acetamide?
The InChIKey is KXFWFGCNDQHKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-14-8-6-12(7-9-14)10-15(18)17-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18).
What are the key properties of N-benzyl-2-(4-bromophenyl)acetamide?
N-benzyl-2-(4-bromophenyl)acetamide has a molecular weight of 304.19 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 670038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).