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

C15H16BrN3O — CID 61213111

IUPAC2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)c1ccccc1N
InChIInChI=1S/C15H16BrN3O/c1-19(2)14-8-7-10(16)9-13(14)18-15(20)11-5-3-4-6-12(11)17/h3-9H,17H2,1-2H3,(H,18,20)
InChIKeyMJNWDKSQCWVMEC-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.35
Rot. Bonds3

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

2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide (PubChem CID 61213111) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide
PubChem CID61213111
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)c1ccccc1N
InChIInChI=1S/C15H16BrN3O/c1-19(2)14-8-7-10(16)9-13(14)18-15(20)11-5-3-4-6-12(11)17/h3-9H,17H2,1-2H3,(H,18,20)
InChIKeyMJNWDKSQCWVMEC-UHFFFAOYSA-N
XLogP3.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.35
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

2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide
CID 63110560
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 103758959
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 63110506
6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 103889568
N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide
CID 78948597
(2S)-2-amino-N-[5-bromo-2-(dimethylamino)phenyl]butanamide
CID 79024173
4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide
CID 78987938
2-[(2-amino-4-bromobenzoyl)amino]benzoic acid
CID 79721511
N-[5-bromo-2-(dimethylamino)phenyl]-2-chloropropanamide
CID 43700570
4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide
CID 63526166

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide?
The IUPAC name of 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide (CID 61213111) is 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide is CN(C)c1ccc(Br)cc1NC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide?
The InChIKey is MJNWDKSQCWVMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19(2)14-8-7-10(16)9-13(14)18-15(20)11-5-3-4-6-12(11)17/h3-9H,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide?
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide has a molecular weight of 334.22 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 61213111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).