4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide

C15H13Br2NO2 — CID 114315530

IUPAC4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
SMILESCC(Br)c1ccccc1NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C15H13Br2NO2/c1-9(16)11-4-2-3-5-13(11)18-15(20)12-7-6-10(17)8-14(12)19/h2-9,19H,1H3,(H,18,20)
InChIKeyGRCXQYUUNCPZJB-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.86
Rot. Bonds3

About 4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide

4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide (PubChem CID 114315530) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
PubChem CID114315530
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
SMILESCC(Br)c1ccccc1NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C15H13Br2NO2/c1-9(16)11-4-2-3-5-13(11)18-15(20)12-7-6-10(17)8-14(12)19/h2-9,19H,1H3,(H,18,20)
InChIKeyGRCXQYUUNCPZJB-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539
N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide
CID 114315522
N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114315449
4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide
CID 114315538
2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide
CID 79714001
2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 62534197
2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 79721735
N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide
CID 114315417
2-hydroxy-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508470
N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide
CID 113275866
4-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501
N-[2-(1-bromoethyl)phenyl]-2,4,6-trimethylbenzamide
CID 114315452

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide (CID 114315530) is 4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide is CC(Br)c1ccccc1NC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide?
The InChIKey is GRCXQYUUNCPZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-9(16)11-4-2-3-5-13(11)18-15(20)12-7-6-10(17)8-14(12)19/h2-9,19H,1H3,(H,18,20).
What are the key properties of 4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide?
4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide has a molecular weight of 399.08 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 114315530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).