N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide

C15H13ClFNO3 — CID 107690723

IUPACN-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(CO)cc1F)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13ClFNO3/c16-11-2-1-3-12(7-11)18-15(20)9-21-14-5-4-10(8-19)6-13(14)17/h1-7,19H,8-9H2,(H,18,20)
InChIKeyBCRLIRHUTWMMLW-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.99
Rot. Bonds5

About N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide

N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide (PubChem CID 107690723) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide
PubChem CID107690723
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC NameN-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(CO)cc1F)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13ClFNO3/c16-11-2-1-3-12(7-11)18-15(20)9-21-14-5-4-10(8-19)6-13(14)17/h1-7,19H,8-9H2,(H,18,20)
InChIKeyBCRLIRHUTWMMLW-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 17173171
2-(2,5-dichlorophenoxy)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60703773
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-(3-chlorophenyl)acetamide
CID 114320702
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide
CID 107686288
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
2-(2-chloro-4-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 161150821
N-(3-chlorophenyl)-2-naphthalen-1-yloxyacetamide
CID 954547
methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate
CID 75452408
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 107686457
2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 3483118
2-(2-amino-4-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 61313800

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide (CID 107690723) is N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide is O=C(COc1ccc(CO)cc1F)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide?
The InChIKey is BCRLIRHUTWMMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c16-11-2-1-3-12(7-11)18-15(20)9-21-14-5-4-10(8-19)6-13(14)17/h1-7,19H,8-9H2,(H,18,20).
What are the key properties of N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide?
N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide has a molecular weight of 309.72 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide is sourced from PubChem (CID 107690723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).