2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide

C15H22FNO2 — CID 110767187

IUPAC2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1cc(F)ccc1OC
InChIInChI=1S/C15H22FNO2/c1-4-8-17(9-5-2)15(18)11-12-10-13(16)6-7-14(12)19-3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeySMGDCWXSUPDXFD-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.03
Rot. Bonds7

About 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide

2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide (PubChem CID 110767187) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide
PubChem CID110767187
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1cc(F)ccc1OC
InChIInChI=1S/C15H22FNO2/c1-4-8-17(9-5-2)15(18)11-12-10-13(16)6-7-14(12)19-3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeySMGDCWXSUPDXFD-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-(2-methoxyphenyl)-N-propylacetamide
CID 61349722
2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid
CID 61007679
2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655680
N-ethyl-2-(5-fluoro-2-methoxyphenyl)-N-phenylacetamide
CID 110767193
2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide
CID 113209412
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 60988210
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795594
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128471

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide (CID 110767187) is 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1cc(F)ccc1OC.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide?
The InChIKey is SMGDCWXSUPDXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-8-17(9-5-2)15(18)11-12-10-13(16)6-7-14(12)19-3/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide?
2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide has a molecular weight of 267.34 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide is sourced from PubChem (CID 110767187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).