2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide

C15H12Br2ClNO2 — CID 5189907

IUPAC2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C15H12Br2ClNO2/c1-9(21-12-4-2-3-11(18)8-12)15(20)19-14-6-5-10(16)7-13(14)17/h2-9H,1H3,(H,19,20)
InChIKeyBVQMNRCKOJLIOI-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.27
Rot. Bonds4

About 2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide

2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide (PubChem CID 5189907) has the molecular formula C15H12Br2ClNO2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide
PubChem CID5189907
Molecular FormulaC15H12Br2ClNO2
Molecular Weight433.53 g/mol
Exact Mass430.89
IUPAC Name2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C15H12Br2ClNO2/c1-9(21-12-4-2-3-11(18)8-12)15(20)19-14-6-5-10(16)7-13(14)17/h2-9H,1H3,(H,19,20)
InChIKeyBVQMNRCKOJLIOI-UHFFFAOYSA-N
XLogP5.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide 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-(2-amino-4-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 62227599
N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
CID 2930780
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide
CID 53267481
N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 103479982
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 43081960
N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide
CID 43080501
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide (CID 5189907) is 2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide?
The InChIKey is BVQMNRCKOJLIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClNO2/c1-9(21-12-4-2-3-11(18)8-12)15(20)19-14-6-5-10(16)7-13(14)17/h2-9H,1H3,(H,19,20).
What are the key properties of 2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide?
2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide has a molecular weight of 433.53 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide is sourced from PubChem (CID 5189907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).