3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide

C15H15BrClN3O — CID 107812870

IUPAC3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C15H15BrClN3O/c1-20(2)14-11(17)4-3-5-13(14)19-15(21)9-6-7-10(16)12(18)8-9/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyZXIYNRZBNGOHOR-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.00
Rot. Bonds3

About 3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide

3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide (PubChem CID 107812870) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
PubChem CID107812870
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C15H15BrClN3O/c1-20(2)14-11(17)4-3-5-13(14)19-15(21)9-6-7-10(16)12(18)8-9/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyZXIYNRZBNGOHOR-UHFFFAOYSA-N
XLogP4.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.00
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

3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107980200
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752467
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913
3-amino-4-bromo-N-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 107812862
N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 51117262
N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide
CID 46458023
4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
CID 107623927
N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997499
N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
CID 103218765
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 114327743
N-[3-chloro-2-(dimethylamino)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55763063
N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55763086

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide?
The IUPAC name of 3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide (CID 107812870) is 3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide is CN(C)c1c(Cl)cccc1NC(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide?
The InChIKey is ZXIYNRZBNGOHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-20(2)14-11(17)4-3-5-13(14)19-15(21)9-6-7-10(16)12(18)8-9/h3-8H,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide?
3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide has a molecular weight of 368.66 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 107812870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).