N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide

C15H11BrClNO3 — CID 115955676

IUPACN-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide
SMILESO=Cc1cccc(Cl)c1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11BrClNO3/c16-11-4-6-12(7-5-11)18-14(20)9-21-15-10(8-19)2-1-3-13(15)17/h1-8H,9H2,(H,18,20)
InChIKeyJOAWVFFKRXPMLC-UHFFFAOYSA-N
MW368.61 g/mol
LogP3.93
Rot. Bonds5

About N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide

N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide (PubChem CID 115955676) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide
PubChem CID115955676
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC NameN-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide
SMILESO=Cc1cccc(Cl)c1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11BrClNO3/c16-11-4-6-12(7-5-11)18-14(20)9-21-15-10(8-19)2-1-3-13(15)17/h1-8H,9H2,(H,18,20)
InChIKeyJOAWVFFKRXPMLC-UHFFFAOYSA-N
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
2-(2-chloro-6-formylphenoxy)-N-(2-fluorophenyl)acetamide
CID 115955695
2-(2-chloro-6-formylphenoxy)acetic acid
CID 91570731
2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 97179244
2-(2-chloro-6-formylphenoxy)acetamide
CID 112611424
2-(2,6-dichlorophenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 46669347
N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide
CID 107697645
2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide
CID 4770117
2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide
CID 112611471
N-(4-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide
CID 134064638
2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid
CID 115955933
N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide
CID 83050973

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide (CID 115955676) is N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide is O=Cc1cccc(Cl)c1OCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide?
The InChIKey is JOAWVFFKRXPMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c16-11-4-6-12(7-5-11)18-14(20)9-21-15-10(8-19)2-1-3-13(15)17/h1-8H,9H2,(H,18,20).
What are the key properties of N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide?
N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide has a molecular weight of 368.61 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide is sourced from PubChem (CID 115955676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).