N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide

C19H20FNO3 — CID 166240421

IUPACN-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide
SMILESCOc1cc(OCC(=O)N(Cc2ccccc2)C2CC2)ccc1F
InChIInChI=1S/C19H20FNO3/c1-23-18-11-16(9-10-17(18)20)24-13-19(22)21(15-7-8-15)12-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3
InChIKeyGCIHWSZQHQTZCG-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.40
Rot. Bonds7

About N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide

N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide (PubChem CID 166240421) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide
PubChem CID166240421
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC NameN-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide
SMILESCOc1cc(OCC(=O)N(Cc2ccccc2)C2CC2)ccc1F
InChIInChI=1S/C19H20FNO3/c1-23-18-11-16(9-10-17(18)20)24-13-19(22)21(15-7-8-15)12-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3
InChIKeyGCIHWSZQHQTZCG-UHFFFAOYSA-N
XLogP3.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate
CID 52684721
2-(3-chloro-4-fluorophenoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 55555870
2-(4-benzoylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 9202236
N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 78845177
2-(2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 78811041
2-(3-acetylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 18198380
3-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzamide
CID 55733850
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 18202925
N-cyclopropyl-2-(4-ethoxyphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013750
N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide
CID 60535262
N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenoxy)acetamide
CID 42887730
N-cyclopropyl-N-ethyl-2-(4-fluoro-3-methylphenoxy)acetamide
CID 81421978

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide?
The IUPAC name of N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide (CID 166240421) is N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide is COc1cc(OCC(=O)N(Cc2ccccc2)C2CC2)ccc1F.
What is the InChIKey of N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide?
The InChIKey is GCIHWSZQHQTZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-23-18-11-16(9-10-17(18)20)24-13-19(22)21(15-7-8-15)12-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3.
What are the key properties of N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide?
N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide has a molecular weight of 329.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide is sourced from PubChem (CID 166240421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).