2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde

C16H15BrClNO — CID 123908842

IUPAC2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde
SMILESCC(NC(C=O)c1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H15BrClNO/c1-11(13-3-2-4-14(17)9-13)19-16(10-20)12-5-7-15(18)8-6-12/h2-11,16,19H,1H3
InChIKeyWNEMKGDJVWRUBI-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.69
Rot. Bonds5

About 2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde

2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde (PubChem CID 123908842) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde
PubChem CID123908842
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde
SMILESCC(NC(C=O)c1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H15BrClNO/c1-11(13-3-2-4-14(17)9-13)19-16(10-20)12-5-7-15(18)8-6-12/h2-11,16,19H,1H3
InChIKeyWNEMKGDJVWRUBI-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-(3-bromobenzyl)-1-(4-chlorophenyl)ethan-1-amine
CID 28645148
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
3-acetamido-N-[(3-bromo-5-fluorophenyl)methyl]-3-(4-chlorophenyl)propanamide
CID 55907654
5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60388810
5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide
CID 60708931
3-bromo-N-[1-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 107951673
3-bromo-N-[1-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 107951674
3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide
CID 107951914
3-bromo-N-[1-(4-chlorophenyl)propyl]-4-fluorobenzamide
CID 107951915
N-[1-(3-bromophenyl)ethyl]-4-chloro-3-fluorobenzamide
CID 107987922

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde?
The IUPAC name of 2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde (CID 123908842) is 2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde.
What is the SMILES notation for 2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde?
The canonical SMILES for 2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde is CC(NC(C=O)c1ccc(Cl)cc1)c1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde?
The InChIKey is WNEMKGDJVWRUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-11(13-3-2-4-14(17)9-13)19-16(10-20)12-5-7-15(18)8-6-12/h2-11,16,19H,1H3.
What are the key properties of 2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde?
2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde has a molecular weight of 352.66 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)ethylamino]-2-(4-chlorophenyl)acetaldehyde is sourced from PubChem (CID 123908842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).