N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide

C26H28BrN3O2 — CID 23969364

IUPACN-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide
SMILESCC(C)(CN)CN(Cc1cccc(NC(=O)c2ccccc2Br)c1)C(=O)c1ccccc1
InChIInChI=1S/C26H28BrN3O2/c1-26(2,17-28)18-30(25(32)20-10-4-3-5-11-20)16-19-9-8-12-21(15-19)29-24(31)22-13-6-7-14-23(22)27/h3-15H,16-18,28H2,1-2H3,(H,29,31)
InChIKeyRLKFZSGGHZIHDT-UHFFFAOYSA-N
MW494.43 g/mol
LogP5.33
Rot. Bonds8

About N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide

N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide (PubChem CID 23969364) has the molecular formula C26H28BrN3O2 and a molecular weight of 494.43 g/mol. Its IUPAC name is N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide
PubChem CID23969364
Molecular FormulaC26H28BrN3O2
Molecular Weight494.43 g/mol
Exact Mass493.14
IUPAC NameN-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide
SMILESCC(C)(CN)CN(Cc1cccc(NC(=O)c2ccccc2Br)c1)C(=O)c1ccccc1
InChIInChI=1S/C26H28BrN3O2/c1-26(2,17-28)18-30(25(32)20-10-4-3-5-11-20)16-19-9-8-12-21(15-19)29-24(31)22-13-6-7-14-23(22)27/h3-15H,16-18,28H2,1-2H3,(H,29,31)
InChIKeyRLKFZSGGHZIHDT-UHFFFAOYSA-N
XLogP5.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.43
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide 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-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-bromobenzamide
CID 23799827
N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 23823129
N-[3-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide
CID 23820528
N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-2-bromobenzamide
CID 23824744
2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide
CID 26162225
N-(3-amino-2,2-dimethylpropyl)-N-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23796119
N-(3-amino-2,2-dimethylpropyl)-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23736138
N-[3-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]-4-tert-butylbenzamide
CID 23798992
N-(3-amino-2,2-dimethylpropyl)-4-cyano-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzamide
CID 23986790
N-(3-amino-2,2-dimethylpropyl)-N-[(4-benzamidophenyl)methyl]-4-cyanobenzamide
CID 23824787
N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]-4-chlorophenyl]-3-methoxybenzamide
CID 23736687
N-(3-amino-2,2-dimethylpropyl)-N-[[3-(3,3-dimethylbutanoylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 23734801

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide?
The IUPAC name of N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide (CID 23969364) is N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide.
What is the SMILES notation for N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide?
The canonical SMILES for N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide is CC(C)(CN)CN(Cc1cccc(NC(=O)c2ccccc2Br)c1)C(=O)c1ccccc1.
What is the InChIKey of N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide?
The InChIKey is RLKFZSGGHZIHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrN3O2/c1-26(2,17-28)18-30(25(32)20-10-4-3-5-11-20)16-19-9-8-12-21(15-19)29-24(31)22-13-6-7-14-23(22)27/h3-15H,16-18,28H2,1-2H3,(H,29,31).
What are the key properties of N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide?
N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide has a molecular weight of 494.43 g/mol, XLogP of 5.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-amino-2,2-dimethylpropyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide is sourced from PubChem (CID 23969364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).