(3-bromophenyl)methyl 2-benzamidoacetate

C16H14BrNO3 — CID 733925

IUPAC(3-bromophenyl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1cccc(Br)c1
InChIInChI=1S/C16H14BrNO3/c17-14-8-4-5-12(9-14)11-21-15(19)10-18-16(20)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,18,20)
InChIKeyUZAFETZFNNOCSO-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.92
Rot. Bonds5

About (3-bromophenyl)methyl 2-benzamidoacetate

(3-bromophenyl)methyl 2-benzamidoacetate (PubChem CID 733925) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is (3-bromophenyl)methyl 2-benzamidoacetate.

Molecular Properties

Compound Name(3-bromophenyl)methyl 2-benzamidoacetate
PubChem CID733925
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Name(3-bromophenyl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1cccc(Br)c1
InChIInChI=1S/C16H14BrNO3/c17-14-8-4-5-12(9-14)11-21-15(19)10-18-16(20)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,18,20)
InChIKeyUZAFETZFNNOCSO-UHFFFAOYSA-N
XLogP2.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)methyl 2-benzamidoacetate?
The IUPAC name of (3-bromophenyl)methyl 2-benzamidoacetate (CID 733925) is (3-bromophenyl)methyl 2-benzamidoacetate.
What is the SMILES notation for (3-bromophenyl)methyl 2-benzamidoacetate?
The canonical SMILES for (3-bromophenyl)methyl 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)OCc1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)methyl 2-benzamidoacetate?
The InChIKey is UZAFETZFNNOCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c17-14-8-4-5-12(9-14)11-21-15(19)10-18-16(20)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,18,20).
What are the key properties of (3-bromophenyl)methyl 2-benzamidoacetate?
(3-bromophenyl)methyl 2-benzamidoacetate has a molecular weight of 348.20 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)methyl 2-benzamidoacetate is sourced from PubChem (CID 733925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).