N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide

C15H11ClFNO3 — CID 2215496

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide
SMILESO=Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H11ClFNO3/c16-13-7-11(3-6-14(13)17)18-15(20)9-21-12-4-1-10(8-19)2-5-12/h1-8H,9H2,(H,18,20)
InChIKeyOSCJEHOQTUJETE-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.31
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide

N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide (PubChem CID 2215496) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide
PubChem CID2215496
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide
SMILESO=Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H11ClFNO3/c16-13-7-11(3-6-14(13)17)18-15(20)9-21-12-4-1-10(8-19)2-5-12/h1-8H,9H2,(H,18,20)
InChIKeyOSCJEHOQTUJETE-UHFFFAOYSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.31
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-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide
CID 17202080
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide
CID 23409469
N-(3-chloro-4-fluorophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611560
2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
CID 106912648
N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide
CID 2989004
4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
CID 2559686
2-[3-(aminomethyl)phenoxy]-N-(3-chloro-4-fluorophenyl)acetamide
CID 106485098
2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 112778728
N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757682
N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 60522144
2-(2-chloro-4-formylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7341227

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide (CID 2215496) is N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide is O=Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide?
The InChIKey is OSCJEHOQTUJETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c16-13-7-11(3-6-14(13)17)18-15(20)9-21-12-4-1-10(8-19)2-5-12/h1-8H,9H2,(H,18,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide has a molecular weight of 307.71 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide is sourced from PubChem (CID 2215496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).