N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide

C15H14BrClN2O — CID 43805366

IUPACN-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Cl)c1ccc(N)cc1
InChIInChI=1S/C15H14BrClN2O/c1-9(10-2-5-12(18)6-3-10)19-15(20)13-7-4-11(16)8-14(13)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyXZDKMVOBRKXLJR-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.18
Rot. Bonds3

About N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide

N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide (PubChem CID 43805366) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
PubChem CID43805366
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC NameN-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Cl)c1ccc(N)cc1
InChIInChI=1S/C15H14BrClN2O/c1-9(10-2-5-12(18)6-3-10)19-15(20)13-7-4-11(16)8-14(13)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyXZDKMVOBRKXLJR-UHFFFAOYSA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide 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

5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide
CID 107869053
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
N-[1-(2-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805368
N-[1-(4-aminophenyl)ethyl]-3-bromo-4-chlorobenzamide
CID 107990822
N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide
CID 8752391
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide
CID 61118117
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide
CID 107868800
5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
CID 103600185
5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 17327083
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide
CID 28558105
4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 43805745
4-amino-2-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840251

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide (CID 43805366) is N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide is CC(NC(=O)c1ccc(Br)cc1Cl)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide?
The InChIKey is XZDKMVOBRKXLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-9(10-2-5-12(18)6-3-10)19-15(20)13-7-4-11(16)8-14(13)17/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide?
N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide has a molecular weight of 353.65 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide is sourced from PubChem (CID 43805366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).