4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide

C15H13Br2NO2 — CID 103830500

IUPAC4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(Br)c(O)c1)c1cccc(Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-9(10-3-2-4-12(16)7-10)18-15(20)11-5-6-13(17)14(19)8-11/h2-9,19H,1H3,(H,18,20)
InChIKeyNANMOSJYWMKEIN-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.41
Rot. Bonds3

About 4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide

4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide (PubChem CID 103830500) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide
PubChem CID103830500
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(Br)c(O)c1)c1cccc(Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-9(10-3-2-4-12(16)7-10)18-15(20)11-5-6-13(17)14(19)8-11/h2-9,19H,1H3,(H,18,20)
InChIKeyNANMOSJYWMKEIN-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-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
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N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
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3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-4-methylbenzamide
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4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
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CID 113434406
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
N-[1-(3-bromophenyl)ethyl]-1H-indole-5-carboxamide
CID 63716758
4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
CID 103871268
3-bromo-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328579
4-[1-(3-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
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4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide (CID 103830500) is 4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide is CC(NC(=O)c1ccc(Br)c(O)c1)c1cccc(Br)c1.
What is the InChIKey of 4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide?
The InChIKey is NANMOSJYWMKEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-9(10-3-2-4-12(16)7-10)18-15(20)11-5-6-13(17)14(19)8-11/h2-9,19H,1H3,(H,18,20).
What are the key properties of 4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide?
4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide 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 4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide is sourced from PubChem (CID 103830500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).