2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide

C15H13Br2NO2 — CID 103882711

IUPAC2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Br)c1cccc(O)c1
InChIInChI=1S/C15H13Br2NO2/c1-9(10-3-2-4-12(19)7-10)18-15(20)13-6-5-11(16)8-14(13)17/h2-9,19H,1H3,(H,18,20)
InChIKeyXONPSTJKZGABMW-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.41
Rot. Bonds3

About 2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide

2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide (PubChem CID 103882711) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide
PubChem CID103882711
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Br)c1cccc(O)c1
InChIInChI=1S/C15H13Br2NO2/c1-9(10-3-2-4-12(19)7-10)18-15(20)13-6-5-11(16)8-14(13)17/h2-9,19H,1H3,(H,18,20)
InChIKeyXONPSTJKZGABMW-UHFFFAOYSA-N
XLogP4.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide
CID 78924714
2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
CID 107987920
2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide
CID 107952380
2-amino-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 61213095
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
CID 107015012
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327
4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
CID 107025551
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide (CID 103882711) is 2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide is CC(NC(=O)c1ccc(Br)cc1Br)c1cccc(O)c1.
What is the InChIKey of 2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide?
The InChIKey is XONPSTJKZGABMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-9(10-3-2-4-12(19)7-10)18-15(20)13-6-5-11(16)8-14(13)17/h2-9,19H,1H3,(H,18,20).
What are the key properties of 2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide?
2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide has a molecular weight of 399.08 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 103882711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).