4-bromo-N-ethyl-N-phenylbenzamide

C15H14BrNO — CID 838389

IUPAC4-bromo-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H14BrNO/c1-2-17(14-6-4-3-5-7-14)15(18)12-8-10-13(16)11-9-12/h3-11H,2H2,1H3
InChIKeyUERPFWQHXQZQJW-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.12
Rot. Bonds3

About 4-bromo-N-ethyl-N-phenylbenzamide

4-bromo-N-ethyl-N-phenylbenzamide (PubChem CID 838389) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-phenylbenzamide
PubChem CID838389
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name4-bromo-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H14BrNO/c1-2-17(14-6-4-3-5-7-14)15(18)12-8-10-13(16)11-9-12/h3-11H,2H2,1H3
InChIKeyUERPFWQHXQZQJW-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-bromo-N-ethyl-N-phenylbenzamide (CID 838389) is 4-bromo-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-bromo-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-bromo-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-bromo-N-ethyl-N-phenylbenzamide?
The InChIKey is UERPFWQHXQZQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-2-17(14-6-4-3-5-7-14)15(18)12-8-10-13(16)11-9-12/h3-11H,2H2,1H3.
What are the key properties of 4-bromo-N-ethyl-N-phenylbenzamide?
4-bromo-N-ethyl-N-phenylbenzamide has a molecular weight of 304.19 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 838389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).