2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide

C14H20FNO2 — CID 110779959

IUPAC2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-4-11(5-2)14(17)16-9-10-6-7-13(18-3)12(15)8-10/h6-8,11H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyNMZYJWYIIPTQHE-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.89
Rot. Bonds6

About 2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide

2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide (PubChem CID 110779959) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
PubChem CID110779959
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-4-11(5-2)14(17)16-9-10-6-7-13(18-3)12(15)8-10/h6-8,11H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyNMZYJWYIIPTQHE-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 110779755
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide
CID 119730114
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119730113
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186690
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158215
2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
CID 55669732
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide
CID 167945432

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide?
The IUPAC name of 2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide (CID 110779959) is 2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide is CCC(CC)C(=O)NCc1ccc(OC)c(F)c1.
What is the InChIKey of 2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide?
The InChIKey is NMZYJWYIIPTQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-11(5-2)14(17)16-9-10-6-7-13(18-3)12(15)8-10/h6-8,11H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of 2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide?
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide has a molecular weight of 253.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 110779959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).