5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide

C14H11BrCl2N2O2 — CID 107185397

IUPAC5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide
SMILESCOc1ccc(Br)c(NC(=O)c2cc(N)cc(Cl)c2Cl)c1
InChIInChI=1S/C14H11BrCl2N2O2/c1-21-8-2-3-10(15)12(6-8)19-14(20)9-4-7(18)5-11(16)13(9)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyHBEJWPRXWFEIJC-UHFFFAOYSA-N
MW390.06 g/mol
LogP4.60
Rot. Bonds3

About 5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide

5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide (PubChem CID 107185397) has the molecular formula C14H11BrCl2N2O2 and a molecular weight of 390.06 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide
PubChem CID107185397
Molecular FormulaC14H11BrCl2N2O2
Molecular Weight390.06 g/mol
Exact Mass387.94
IUPAC Name5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide
SMILESCOc1ccc(Br)c(NC(=O)c2cc(N)cc(Cl)c2Cl)c1
InChIInChI=1S/C14H11BrCl2N2O2/c1-21-8-2-3-10(15)12(6-8)19-14(20)9-4-7(18)5-11(16)13(9)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyHBEJWPRXWFEIJC-UHFFFAOYSA-N
XLogP4.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.06
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-bromo-5-methylphenyl)-2,3-dichlorobenzamide
CID 107185700
5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 103296580
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
CID 103989322
5-amino-2,3-dichloro-N-(3-methoxyphenyl)benzamide
CID 107183164
5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide
CID 107185996
2-bromo-N-(5-bromo-2-chlorophenyl)-5-methoxybenzamide
CID 62908603
2-bromo-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 7899907
5-amino-N-(4-bromo-3-methylphenyl)-2,3-dichlorobenzamide
CID 107183354
2-amino-N-(2,5-dibromophenyl)-4-methoxybenzamide
CID 115412703
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
N-(2-bromo-5-methoxyphenyl)-2-iodobenzamide
CID 62416238
N-(2-bromo-5-methoxyphenyl)-3-chloro-4-methylbenzamide
CID 63235634

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide?
The IUPAC name of 5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide (CID 107185397) is 5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide.
What is the SMILES notation for 5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide?
The canonical SMILES for 5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide is COc1ccc(Br)c(NC(=O)c2cc(N)cc(Cl)c2Cl)c1.
What is the InChIKey of 5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide?
The InChIKey is HBEJWPRXWFEIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O2/c1-21-8-2-3-10(15)12(6-8)19-14(20)9-4-7(18)5-11(16)13(9)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide?
5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide has a molecular weight of 390.06 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide is sourced from PubChem (CID 107185397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).