N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide

C14H10BrCl2NO3 — CID 107791061

IUPACN-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)c1O
InChIInChI=1S/C14H10BrCl2NO3/c1-21-10-4-2-3-7(13(10)19)14(20)18-9-6-5-8(15)11(16)12(9)17/h2-6,19H,1H3,(H,18,20)
InChIKeyQEBZNGVHRRECBM-UHFFFAOYSA-N
MW391.05 g/mol
LogP4.72
Rot. Bonds3

About N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide

N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide (PubChem CID 107791061) has the molecular formula C14H10BrCl2NO3 and a molecular weight of 391.05 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide
PubChem CID107791061
Molecular FormulaC14H10BrCl2NO3
Molecular Weight391.05 g/mol
Exact Mass388.92
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)c1O
InChIInChI=1S/C14H10BrCl2NO3/c1-21-10-4-2-3-7(13(10)19)14(20)18-9-6-5-8(15)11(16)12(9)17/h2-6,19H,1H3,(H,18,20)
InChIKeyQEBZNGVHRRECBM-UHFFFAOYSA-N
XLogP4.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.05
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 24703596
2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 29286272
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103988699
N-(2,5-dichloro-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 115761010
3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide
CID 107953841
N-(5-bromo-4-fluoro-2-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 103278127
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
CID 103989322
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114344130
2-chloro-N-(2-chlorophenyl)-3-methoxybenzamide
CID 45051392
N-(5-chloro-2-pyridinyl)-2-hydroxy-3-methoxybenzamide
CID 28831584

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide (CID 107791061) is N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)c1O.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide?
The InChIKey is QEBZNGVHRRECBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO3/c1-21-10-4-2-3-7(13(10)19)14(20)18-9-6-5-8(15)11(16)12(9)17/h2-6,19H,1H3,(H,18,20).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide?
N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide has a molecular weight of 391.05 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 107791061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).