2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide

C14H12Br2N2O — CID 54547722

IUPAC2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cc(Br)cc(Br)c1N)c1ccccc1
InChIInChI=1S/C14H12Br2N2O/c1-18(10-5-3-2-4-6-10)14(19)11-7-9(15)8-12(16)13(11)17/h2-8H,17H2,1H3
InChIKeyZHSNETJQKFACJQ-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.07
Rot. Bonds2

About 2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide

2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide (PubChem CID 54547722) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is 2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide
PubChem CID54547722
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC Name2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cc(Br)cc(Br)c1N)c1ccccc1
InChIInChI=1S/C14H12Br2N2O/c1-18(10-5-3-2-4-6-10)14(19)11-7-9(15)8-12(16)13(11)17/h2-8H,17H2,1H3
InChIKeyZHSNETJQKFACJQ-UHFFFAOYSA-N
XLogP4.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-fluoro-N-methyl-N-phenylbenzamide
CID 24710295
3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 14678741
2-amino-N-methyl-N-phenylquinoline-4-carboxamide
CID 62155545
1-phenylethyl 2-amino-3,5-dibromobenzoate
CID 63541389
2-acetamido-4-bromo-N-methyl-N-phenylbenzamide
CID 141352408
3-amino-5-bromo-N,2-dimethyl-N-pyridin-3-ylbenzamide
CID 107872797
N,2-dimethyl-N-phenylbenzamide
CID 5222383
2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092607
3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015
4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
CID 56919945
2,4-dibromo-N-methyl-N-(3-methylphenyl)benzamide
CID 107952311
4-amino-N-methyl-N-phenylbenzamide
CID 4306081

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide?
The IUPAC name of 2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide (CID 54547722) is 2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide?
The canonical SMILES for 2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide is CN(C(=O)c1cc(Br)cc(Br)c1N)c1ccccc1.
What is the InChIKey of 2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide?
The InChIKey is ZHSNETJQKFACJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O/c1-18(10-5-3-2-4-6-10)14(19)11-7-9(15)8-12(16)13(11)17/h2-8H,17H2,1H3.
What are the key properties of 2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide?
2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide has a molecular weight of 384.07 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54547722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).