2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide

C14H12BrClN2O — CID 115539970

IUPAC2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2N)ccc1Br
InChIInChI=1S/C14H12BrClN2O/c1-8-7-9(5-6-11(8)15)18-14(19)10-3-2-4-12(16)13(10)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyCBDLMFWGMALUBC-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.25
Rot. Bonds2

About 2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide

2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide (PubChem CID 115539970) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
PubChem CID115539970
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2N)ccc1Br
InChIInChI=1S/C14H12BrClN2O/c1-8-7-9(5-6-11(8)15)18-14(19)10-3-2-4-12(16)13(10)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyCBDLMFWGMALUBC-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-methylphenyl)-2,6-dichlorobenzamide
CID 3367172
5-amino-N-(4-bromo-3-methylphenyl)-2,3-dichlorobenzamide
CID 107183354
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 115540020
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
CID 113221431
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494
2-amino-3-chloro-N-(3-iodophenyl)benzamide
CID 113331655
2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 115539982
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
2-amino-3-chloro-N-(4-methylsulfanylphenyl)benzamide
CID 115539964

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide?
The IUPAC name of 2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide (CID 115539970) is 2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide?
The canonical SMILES for 2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide is Cc1cc(NC(=O)c2cccc(Cl)c2N)ccc1Br.
What is the InChIKey of 2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide?
The InChIKey is CBDLMFWGMALUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-7-9(5-6-11(8)15)18-14(19)10-3-2-4-12(16)13(10)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide?
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide has a molecular weight of 339.62 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide is sourced from PubChem (CID 115539970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).