3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide

C15H15BrClN3O — CID 107812913

IUPAC3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C15H15BrClN3O/c1-20(2)14-6-4-10(17)8-13(14)19-15(21)9-3-5-11(16)12(18)7-9/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyZXNQYRQEMGODSW-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.00
Rot. Bonds3

About 3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide

3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide (PubChem CID 107812913) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
PubChem CID107812913
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C15H15BrClN3O/c1-20(2)14-6-4-10(17)8-13(14)19-15(21)9-3-5-11(16)12(18)7-9/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyZXNQYRQEMGODSW-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

4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 63110506
3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 61102222
4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 43710258
3-amino-4-bromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812870
N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide
CID 55336201
2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide
CID 43710251
5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide
CID 81252329
N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60630528
4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide
CID 63526166
N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
CID 78807126

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide?
The IUPAC name of 3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide (CID 107812913) is 3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide is CN(C)c1ccc(Cl)cc1NC(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide?
The InChIKey is ZXNQYRQEMGODSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-20(2)14-6-4-10(17)8-13(14)19-15(21)9-3-5-11(16)12(18)7-9/h3-8H,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide?
3-amino-4-bromo-N-[5-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-[5-chloro-2-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 107812913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).