2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide

C22H20BrN3O2 — CID 78791161

IUPAC2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C22H20BrN3O2/c1-26(2)16-13-11-15(12-14-16)24-22(28)18-8-4-6-10-20(18)25-21(27)17-7-3-5-9-19(17)23/h3-14H,1-2H3,(H,24,28)(H,25,27)
InChIKeyIASOWNWSNZIVDD-UHFFFAOYSA-N
MW438.33 g/mol
LogP5.02
Rot. Bonds5

About 2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide

2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide (PubChem CID 78791161) has the molecular formula C22H20BrN3O2 and a molecular weight of 438.33 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide
PubChem CID78791161
Molecular FormulaC22H20BrN3O2
Molecular Weight438.33 g/mol
Exact Mass437.07
IUPAC Name2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C22H20BrN3O2/c1-26(2)16-13-11-15(12-14-16)24-22(28)18-8-4-6-10-20(18)25-21(27)17-7-3-5-9-19(17)23/h3-14H,1-2H3,(H,24,28)(H,25,27)
InChIKeyIASOWNWSNZIVDD-UHFFFAOYSA-N
XLogP5.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromobenzoyl)amino]-N-(4-bromophenyl)benzamide
CID 55358520
2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
CID 1313742
2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide
CID 78791778
3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106543999
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
2-bromo-N-[4-[(2-chlorophenyl)carbamoyl]phenyl]benzamide
CID 23848830
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide
CID 113094047
2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 2184947
2-[(2-bromobenzoyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 78791630
2-bromo-N-(4-carbamothioylphenyl)benzamide
CID 24690668
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide (CID 78791161) is 2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide is CN(C)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide?
The InChIKey is IASOWNWSNZIVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O2/c1-26(2)16-13-11-15(12-14-16)24-22(28)18-8-4-6-10-20(18)25-21(27)17-7-3-5-9-19(17)23/h3-14H,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide?
2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide has a molecular weight of 438.33 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 78791161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).