2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide

C16H15BrClNO3 — CID 56581617

IUPAC2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cc(Cl)ccc2O)c(Br)c1
InChIInChI=1S/C16H15BrClNO3/c1-9-3-6-15(12(17)7-9)22-10(2)16(21)19-13-8-11(18)4-5-14(13)20/h3-8,10,20H,1-2H3,(H,19,21)
InChIKeyQFCCCHWFRKSNDB-UHFFFAOYSA-N
MW384.66 g/mol
LogP4.52
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide

2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide (PubChem CID 56581617) has the molecular formula C16H15BrClNO3 and a molecular weight of 384.66 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
PubChem CID56581617
Molecular FormulaC16H15BrClNO3
Molecular Weight384.66 g/mol
Exact Mass382.99
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cc(Cl)ccc2O)c(Br)c1
InChIInChI=1S/C16H15BrClNO3/c1-9-3-6-15(12(17)7-9)22-10(2)16(21)19-13-8-11(18)4-5-14(13)20/h3-8,10,20H,1-2H3,(H,19,21)
InChIKeyQFCCCHWFRKSNDB-UHFFFAOYSA-N
XLogP4.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.66
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837798
(2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 2204043
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 8728791
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
(2R)-N-(2-acetylphenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 8958059
2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51236277
N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944864
2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633931
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide (CID 56581617) is 2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide is Cc1ccc(OC(C)C(=O)Nc2cc(Cl)ccc2O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide?
The InChIKey is QFCCCHWFRKSNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO3/c1-9-3-6-15(12(17)7-9)22-10(2)16(21)19-13-8-11(18)4-5-14(13)20/h3-8,10,20H,1-2H3,(H,19,21).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide?
2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide has a molecular weight of 384.66 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide is sourced from PubChem (CID 56581617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).