N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide

C18H17BrN2O2 — CID 113094047

IUPACN-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide
SMILESCC(=O)N(c1ccc(NC(=O)c2ccccc2Br)cc1)C1CC1
InChIInChI=1S/C18H17BrN2O2/c1-12(22)21(15-10-11-15)14-8-6-13(7-9-14)20-18(23)16-4-2-3-5-17(16)19/h2-9,15H,10-11H2,1H3,(H,20,23)
InChIKeyHZWWVZWNCIDFMW-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.22
Rot. Bonds4

About N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide

N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide (PubChem CID 113094047) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide
PubChem CID113094047
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide
SMILESCC(=O)N(c1ccc(NC(=O)c2ccccc2Br)cc1)C1CC1
InChIInChI=1S/C18H17BrN2O2/c1-12(22)21(15-10-11-15)14-8-6-13(7-9-14)20-18(23)16-4-2-3-5-17(16)19/h2-9,15H,10-11H2,1H3,(H,20,23)
InChIKeyHZWWVZWNCIDFMW-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-[acetyl(cyclopropyl)amino]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-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide
CID 113094048
N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
CID 113094075
N-[4-[acetyl(cyclopropyl)amino]phenyl]cyclopropanecarboxamide
CID 113094031
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide
CID 113094036
2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide
CID 78791161
N-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 113094101
N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 113094206
2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 2184947
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
CID 113094170
2-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64792802
N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide
CID 113095079
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide?
The IUPAC name of N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide (CID 113094047) is N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide.
What is the SMILES notation for N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide?
The canonical SMILES for N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide is CC(=O)N(c1ccc(NC(=O)c2ccccc2Br)cc1)C1CC1.
What is the InChIKey of N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide?
The InChIKey is HZWWVZWNCIDFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12(22)21(15-10-11-15)14-8-6-13(7-9-14)20-18(23)16-4-2-3-5-17(16)19/h2-9,15H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide?
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide has a molecular weight of 373.25 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide is sourced from PubChem (CID 113094047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).