3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide

C14H11BrCl2N2O — CID 104725747

IUPAC3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
SMILESCc1cc(Cl)c(NC(=O)c2cccc(N)c2Br)cc1Cl
InChIInChI=1S/C14H11BrCl2N2O/c1-7-5-10(17)12(6-9(7)16)19-14(20)8-3-2-4-11(18)13(8)15/h2-6H,18H2,1H3,(H,19,20)
InChIKeyAITFHFSXJHWUDZ-UHFFFAOYSA-N
MW374.07 g/mol
LogP4.90
Rot. Bonds2

About 3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide

3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide (PubChem CID 104725747) has the molecular formula C14H11BrCl2N2O and a molecular weight of 374.07 g/mol. Its IUPAC name is 3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
PubChem CID104725747
Molecular FormulaC14H11BrCl2N2O
Molecular Weight374.07 g/mol
Exact Mass371.94
IUPAC Name3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
SMILESCc1cc(Cl)c(NC(=O)c2cccc(N)c2Br)cc1Cl
InChIInChI=1S/C14H11BrCl2N2O/c1-7-5-10(17)12(6-9(7)16)19-14(20)8-3-2-4-11(18)13(8)15/h2-6H,18H2,1H3,(H,19,20)
InChIKeyAITFHFSXJHWUDZ-UHFFFAOYSA-N
XLogP4.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.07
LogP ≤ 54.90
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

2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725699
3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide
CID 23464406
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
CID 104725719
N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide
CID 115760988
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725697
2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725738
N-(2,5-dichloro-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 115761010
3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 113367036
4-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 113445906
2-chloro-N-(2,5-dichloro-4-methylphenyl)-5-hydroxybenzamide
CID 106502134
N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide
CID 43347143

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide?
The IUPAC name of 3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide (CID 104725747) is 3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide.
What is the SMILES notation for 3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide?
The canonical SMILES for 3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide is Cc1cc(Cl)c(NC(=O)c2cccc(N)c2Br)cc1Cl.
What is the InChIKey of 3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide?
The InChIKey is AITFHFSXJHWUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O/c1-7-5-10(17)12(6-9(7)16)19-14(20)8-3-2-4-11(18)13(8)15/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide?
3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide has a molecular weight of 374.07 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide is sourced from PubChem (CID 104725747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).