N-benzyl-3-bromo-4-methylbenzamide

C15H14BrNO — CID 681073

IUPACN-benzyl-3-bromo-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2)cc1Br
InChIInChI=1S/C15H14BrNO/c1-11-7-8-13(9-14(11)16)15(18)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyMYPXIAZQOJNYND-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.69
Rot. Bonds3

About N-benzyl-3-bromo-4-methylbenzamide

N-benzyl-3-bromo-4-methylbenzamide (PubChem CID 681073) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is N-benzyl-3-bromo-4-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-bromo-4-methylbenzamide
PubChem CID681073
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC NameN-benzyl-3-bromo-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2)cc1Br
InChIInChI=1S/C15H14BrNO/c1-11-7-8-13(9-14(11)16)15(18)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyMYPXIAZQOJNYND-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromo-4-methylbenzamide?
The IUPAC name of N-benzyl-3-bromo-4-methylbenzamide (CID 681073) is N-benzyl-3-bromo-4-methylbenzamide.
What is the SMILES notation for N-benzyl-3-bromo-4-methylbenzamide?
The canonical SMILES for N-benzyl-3-bromo-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccccc2)cc1Br.
What is the InChIKey of N-benzyl-3-bromo-4-methylbenzamide?
The InChIKey is MYPXIAZQOJNYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-11-7-8-13(9-14(11)16)15(18)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-benzyl-3-bromo-4-methylbenzamide?
N-benzyl-3-bromo-4-methylbenzamide has a molecular weight of 304.19 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromo-4-methylbenzamide is sourced from PubChem (CID 681073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).