2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide

C15H11BrCl2N2O4 — CID 3950317

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H11BrCl2N2O4/c1-8(24-14-5-2-9(17)6-11(14)16)15(21)19-13-7-10(20(22)23)3-4-12(13)18/h2-8H,1H3,(H,19,21)
InChIKeyQWLYTFGTKLIMEE-UHFFFAOYSA-N
MW434.07 g/mol
LogP5.07
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide

2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide (PubChem CID 3950317) has the molecular formula C15H11BrCl2N2O4 and a molecular weight of 434.07 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide
PubChem CID3950317
Molecular FormulaC15H11BrCl2N2O4
Molecular Weight434.07 g/mol
Exact Mass431.93
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H11BrCl2N2O4/c1-8(24-14-5-2-9(17)6-11(14)16)15(21)19-13-7-10(20(22)23)3-4-12(13)18/h2-8H,1H3,(H,19,21)
InChIKeyQWLYTFGTKLIMEE-UHFFFAOYSA-N
XLogP5.07
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.07
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)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

(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7865912
2-(2-bromo-4-chlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 4981359
(2S)-2-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7278991
2-(2,4-dichlorophenoxy)-N-(2,4-dinitrophenyl)propanamide
CID 5226893
(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide
CID 7865200
(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 92678067
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7082956
N-(2-chloro-5-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160860
2-(4-chloro-2-methylphenoxy)-N-(2,4-dinitrophenyl)propanamide
CID 4158916
(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide
CID 78972381
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564232
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564228

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide (CID 3950317) is 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide?
The InChIKey is QWLYTFGTKLIMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2O4/c1-8(24-14-5-2-9(17)6-11(14)16)15(21)19-13-7-10(20(22)23)3-4-12(13)18/h2-8H,1H3,(H,19,21).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide?
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide has a molecular weight of 434.07 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-5-nitrophenyl)propanamide is sourced from PubChem (CID 3950317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).