N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide

C13H18FNO2 — CID 110788935

IUPACN-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(=O)NCCc1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C13H18FNO2/c1-9(2)17-13-5-4-11(8-12(13)14)6-7-15-10(3)16/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyOMPUEDULLJAXKW-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide

N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 110788935) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID110788935
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(=O)NCCc1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C13H18FNO2/c1-9(2)17-13-5-4-11(8-12(13)14)6-7-15-10(3)16/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyOMPUEDULLJAXKW-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide
CID 110788942
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide
CID 110782111
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbutanamide
CID 120500446
methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate
CID 110788929
2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid
CID 98784176
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide
CID 107692552
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107692828
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158297
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
CID 110782122

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide (CID 110788935) is N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide is CC(=O)NCCc1ccc(OC(C)C)c(F)c1.
What is the InChIKey of N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is OMPUEDULLJAXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(2)17-13-5-4-11(8-12(13)14)6-7-15-10(3)16/h4-5,8-9H,6-7H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide?
N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 239.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 110788935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).