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

C15H11ClFNO3 — CID 17202080

IUPACN-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide
SMILESO=Cc1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H11ClFNO3/c16-13-7-11(4-5-14(13)17)18-15(20)9-21-12-3-1-2-10(6-12)8-19/h1-8H,9H2,(H,18,20)
InChIKeySDURXMLNAZXTPL-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.31
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide (PubChem CID 17202080) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide
PubChem CID17202080
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide
SMILESO=Cc1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H11ClFNO3/c16-13-7-11(4-5-14(13)17)18-15(20)9-21-12-3-1-2-10(6-12)8-19/h1-8H,9H2,(H,18,20)
InChIKeySDURXMLNAZXTPL-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-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide
CID 2989004
N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide
CID 2215496
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
CID 106912648
2-[3-(aminomethyl)phenoxy]-N-(3-chloro-4-fluorophenyl)acetamide
CID 106485098
N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757682
N'-[(Z)-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126160299
N-(3-chloro-4-fluorophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611560
N'-[(Z)-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 126181524
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
N-(3-chloro-4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709063
N-benzyl-3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7492272

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide (CID 17202080) is N-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide is O=Cc1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide?
The InChIKey is SDURXMLNAZXTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c16-13-7-11(4-5-14(13)17)18-15(20)9-21-12-3-1-2-10(6-12)8-19/h1-8H,9H2,(H,18,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(3-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-(3-formylphenoxy)acetamide is sourced from PubChem (CID 17202080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).