2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide

C14H12BrClN2O — CID 63663448

IUPAC2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide
SMILESCc1ccc(NC(=O)c2c(N)cccc2Cl)cc1Br
InChIInChI=1S/C14H12BrClN2O/c1-8-5-6-9(7-10(8)15)18-14(19)13-11(16)3-2-4-12(13)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyBOOLTFOZRGWTFH-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.25
Rot. Bonds2

About 2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide

2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide (PubChem CID 63663448) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide
PubChem CID63663448
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide
SMILESCc1ccc(NC(=O)c2c(N)cccc2Cl)cc1Br
InChIInChI=1S/C14H12BrClN2O/c1-8-5-6-9(7-10(8)15)18-14(19)13-11(16)3-2-4-12(13)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyBOOLTFOZRGWTFH-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
2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide
CID 63660522
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 63659648
N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide
CID 107999939
N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
CID 107999858
2-amino-6-chloro-N-(3,4,5-trifluorophenyl)benzamide
CID 63658626
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
CID 115539970
2-amino-6-chloro-N-(3-methyl-4-pyridinyl)benzamide
CID 63669500
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzamide
CID 79714244

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide?
The IUPAC name of 2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide (CID 63663448) is 2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide?
The canonical SMILES for 2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide is Cc1ccc(NC(=O)c2c(N)cccc2Cl)cc1Br.
What is the InChIKey of 2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide?
The InChIKey is BOOLTFOZRGWTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-5-6-9(7-10(8)15)18-14(19)13-11(16)3-2-4-12(13)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide?
2-amino-N-(3-bromo-4-methylphenyl)-6-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-(3-bromo-4-methylphenyl)-6-chlorobenzamide is sourced from PubChem (CID 63663448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).