N-(2-bromophenyl)-N-chloro-2-hydroxybenzamide

C13H9BrClNO2 — CID 141037940

IUPACN-(2-bromophenyl)-N-chloro-2-hydroxybenzamide
SMILESO=C(c1ccccc1O)N(Cl)c1ccccc1Br
InChIInChI=1S/C13H9BrClNO2/c14-10-6-2-3-7-11(10)16(15)13(18)9-5-1-4-8-12(9)17/h1-8,17H
InChIKeyFKEGOMNNFNYYJA-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.96
Rot. Bonds2

About N-(2-bromophenyl)-N-chloro-2-hydroxybenzamide

N-(2-bromophenyl)-N-chloro-2-hydroxybenzamide (PubChem CID 141037940) has the molecular formula C13H9BrClNO2 and a molecular weight of 326.58 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-chloro-2-hydroxybenzamide
PubChem CID141037940
Molecular FormulaC13H9BrClNO2
Molecular Weight326.58 g/mol
Exact Mass324.95
IUPAC NameN-(2-bromophenyl)-N-chloro-2-hydroxybenzamide
SMILESO=C(c1ccccc1O)N(Cl)c1ccccc1Br
InChIInChI=1S/C13H9BrClNO2/c14-10-6-2-3-7-11(10)16(15)13(18)9-5-1-4-8-12(9)17/h1-8,17H
InChIKeyFKEGOMNNFNYYJA-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 20668349
2-amino-N-(2-hydroxyphenyl)-N-methylbenzamide
CID 140987433
N-benzoyl-N-(2-bromophenyl)benzamide
CID 10595916
2-chloro-N-(2-hydroxyphenyl)-N-methylbenzamide
CID 141220013
2-bromo-N-tert-butyl-N-methylbenzamide
CID 4597758
N-(2-bromophenyl)-N-methylhydroxylamine
CID 58554811
2-hydroxy-N'-(2-hydroxybenzoyl)-N'-methylbenzohydrazide
CID 19854250
N,N-dimethylmethanamine;2-hydroxybenzoic acid
CID 173188925
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
2-hydroxy-N-methyl-N-propylbenzamide
CID 43271541
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-chloro-2-hydroxybenzamide?
The IUPAC name of N-(2-bromophenyl)-N-chloro-2-hydroxybenzamide (CID 141037940) is N-(2-bromophenyl)-N-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-(2-bromophenyl)-N-chloro-2-hydroxybenzamide?
The canonical SMILES for N-(2-bromophenyl)-N-chloro-2-hydroxybenzamide is O=C(c1ccccc1O)N(Cl)c1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N-chloro-2-hydroxybenzamide?
The InChIKey is FKEGOMNNFNYYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO2/c14-10-6-2-3-7-11(10)16(15)13(18)9-5-1-4-8-12(9)17/h1-8,17H.
What are the key properties of N-(2-bromophenyl)-N-chloro-2-hydroxybenzamide?
N-(2-bromophenyl)-N-chloro-2-hydroxybenzamide has a molecular weight of 326.58 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-chloro-2-hydroxybenzamide is sourced from PubChem (CID 141037940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).