3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide

C15H14BrNO3 — CID 109416216

IUPAC3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(O)c2cccc(Br)c2)c1
InChIInChI=1S/C15H14BrNO3/c16-12-5-1-3-10(7-12)14(18)9-20-13-6-2-4-11(8-13)15(17)19/h1-8,14,18H,9H2,(H2,17,19)
InChIKeyFILGHVJMSWTXLD-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.66
Rot. Bonds5

About 3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide

3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide (PubChem CID 109416216) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide.

Molecular Properties

Compound Name3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide
PubChem CID109416216
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(O)c2cccc(Br)c2)c1
InChIInChI=1S/C15H14BrNO3/c16-12-5-1-3-10(7-12)14(18)9-20-13-6-2-4-11(8-13)15(17)19/h1-8,14,18H,9H2,(H2,17,19)
InChIKeyFILGHVJMSWTXLD-UHFFFAOYSA-N
XLogP2.66
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol
CID 117242764
methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate
CID 43537890
2-amino-3-(3-carbamoylphenoxy)propanoic acid
CID 65442579
methyl 3-(2-hydroxy-2-phenylethoxy)benzoate
CID 109414098
3-(3-amino-2-methyl-3-sulfanylidenepropoxy)benzamide
CID 82147616
4-[2-(3-bromophenoxy)ethoxy]benzamide
CID 26217003
1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol
CID 167985590
3-(6-bromohexoxy)benzamide
CID 59402930
3-(10-bromodecoxy)benzamide
CID 59402968
3-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 55680949
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide
CID 107811332
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide?
The IUPAC name of 3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide (CID 109416216) is 3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide.
What is the SMILES notation for 3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide?
The canonical SMILES for 3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide is NC(=O)c1cccc(OCC(O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide?
The InChIKey is FILGHVJMSWTXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c16-12-5-1-3-10(7-12)14(18)9-20-13-6-2-4-11(8-13)15(17)19/h1-8,14,18H,9H2,(H2,17,19).
What are the key properties of 3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide?
3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide has a molecular weight of 336.19 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide is sourced from PubChem (CID 109416216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).