2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide

C24H23BrN2O2 — CID 2246745

IUPAC2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3Br)c2)cc1
InChIInChI=1S/C24H23BrN2O2/c1-24(2,3)17-13-11-16(12-14-17)22(28)26-18-7-6-8-19(15-18)27-23(29)20-9-4-5-10-21(20)25/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyWKNKXMRSBQRXHB-UHFFFAOYSA-N
MW451.36 g/mol
LogP6.25
Rot. Bonds4

About 2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide

2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide (PubChem CID 2246745) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is 2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
PubChem CID2246745
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC Name2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3Br)c2)cc1
InChIInChI=1S/C24H23BrN2O2/c1-24(2,3)17-13-11-16(12-14-17)22(28)26-18-7-6-8-19(15-18)27-23(29)20-9-4-5-10-21(20)25/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyWKNKXMRSBQRXHB-UHFFFAOYSA-N
XLogP6.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]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

N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
N-[3-[(4-bromobenzoyl)carbamothioylamino]phenyl]-4-tert-butylbenzamide
CID 23101013
N-[(3-benzamidophenyl)carbamothioyl]-4-tert-butylbenzamide
CID 1340575
N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-iodobenzamide
CID 17232445
3-[[4-bromo-2-[(4-tert-butylbenzoyl)amino]benzoyl]amino]benzoic acid
CID 118714641
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
CID 4003152
N,N'-bis[3-[(4-tert-butylbenzoyl)amino]phenyl]decanediamide
CID 17232408
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide (CID 2246745) is 2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3Br)c2)cc1.
What is the InChIKey of 2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide?
The InChIKey is WKNKXMRSBQRXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c1-24(2,3)17-13-11-16(12-14-17)22(28)26-18-7-6-8-19(15-18)27-23(29)20-9-4-5-10-21(20)25/h4-15H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide?
2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide has a molecular weight of 451.36 g/mol, XLogP of 6.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 2246745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).