N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide

C14H18FNO2 — CID 54876478

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
SMILESCCN(C(=O)CC(C)=O)C(C)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-4-16(14(18)9-10(2)17)11(3)12-5-7-13(15)8-6-12/h5-8,11H,4,9H2,1-3H3
InChIKeyHLDTUEAFLDIAPE-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.71
Rot. Bonds5

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide (PubChem CID 54876478) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
PubChem CID54876478
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
SMILESCCN(C(=O)CC(C)=O)C(C)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-4-16(14(18)9-10(2)17)11(3)12-5-7-13(15)8-6-12/h5-8,11H,4,9H2,1-3H3
InChIKeyHLDTUEAFLDIAPE-UHFFFAOYSA-N
XLogP2.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide
CID 82852194
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287578
ethyl 4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 60795014
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950073
2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate
CID 79346125
2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119737208
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 119950245
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119737229
N-ethyl-3-(ethylamino)-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 62853654

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide (CID 54876478) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide is CCN(C(=O)CC(C)=O)C(C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide?
The InChIKey is HLDTUEAFLDIAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-4-16(14(18)9-10(2)17)11(3)12-5-7-13(15)8-6-12/h5-8,11H,4,9H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide has a molecular weight of 251.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide is sourced from PubChem (CID 54876478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).