2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde

C16H15BrClNO — CID 87151253

IUPAC2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde
SMILESO=CC(NCCc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClNO/c17-14-3-1-2-12(10-14)8-9-19-16(11-20)13-4-6-15(18)7-5-13/h1-7,10-11,16,19H,8-9H2
InChIKeyLWZSPCGRUGCFRD-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.17
Rot. Bonds6

About 2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde

2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde (PubChem CID 87151253) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde
PubChem CID87151253
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde
SMILESO=CC(NCCc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClNO/c17-14-3-1-2-12(10-14)8-9-19-16(11-20)13-4-6-15(18)7-5-13/h1-7,10-11,16,19H,8-9H2
InChIKeyLWZSPCGRUGCFRD-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde 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-[(5-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 55593774
2-(3-bromo-4-fluorophenyl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55854200
2-(3-bromo-4-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 55855519
5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide
CID 60708931
2-(3-Bromo-4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 83231123
3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide
CID 107951914
3-bromo-N-[1-(4-chlorophenyl)propyl]-4-fluorobenzamide
CID 107951915
2-(5-bromo-2-fluorophenyl)-N-[(4-chlorophenyl)methyl]acetamide
CID 108465140
2-acetamido-2-(3-bromophenyl)-N-[1-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide
CID 166339939
2-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]acetamide
CID 4370534
N-[2-(3-bromophenyl)ethyl]-4-chlorobenzamide
CID 57420568
(R)-3-bromo-4-chloro-N-(1-phenylethyl)benzamide
CID 59803164

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde?
The IUPAC name of 2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde (CID 87151253) is 2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde.
What is the SMILES notation for 2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde?
The canonical SMILES for 2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde is O=CC(NCCc1cccc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde?
The InChIKey is LWZSPCGRUGCFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c17-14-3-1-2-12(10-14)8-9-19-16(11-20)13-4-6-15(18)7-5-13/h1-7,10-11,16,19H,8-9H2.
What are the key properties of 2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde?
2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde has a molecular weight of 352.66 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde is sourced from PubChem (CID 87151253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).