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

C15H14BrClN2O — CID 115377777

IUPAC4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1cccc(NC(=O)c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C15H14BrClN2O/c1-19(2)12-5-3-4-11(9-12)18-15(20)10-6-7-13(16)14(17)8-10/h3-9H,1-2H3,(H,18,20)
InChIKeyWVBVXUVXWDWOCP-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.42
Rot. Bonds3

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

4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide (PubChem CID 115377777) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide
PubChem CID115377777
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1cccc(NC(=O)c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C15H14BrClN2O/c1-19(2)12-5-3-4-11(9-12)18-15(20)10-6-7-13(16)14(17)8-10/h3-9H,1-2H3,(H,18,20)
InChIKeyWVBVXUVXWDWOCP-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

Analyze 4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 107952935
4-bromo-3-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 81308165
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide
CID 107033296
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide
CID 75430292
3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 110488278
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide (CID 115377777) is 4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide is CN(C)c1cccc(NC(=O)c2ccc(Br)c(Cl)c2)c1.
What is the InChIKey of 4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide?
The InChIKey is WVBVXUVXWDWOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-19(2)12-5-3-4-11(9-12)18-15(20)10-6-7-13(16)14(17)8-10/h3-9H,1-2H3,(H,18,20).
What are the key properties of 4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide?
4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide has a molecular weight of 353.65 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 115377777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).