3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide

C13H17ClFNO — CID 54875564

IUPAC3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCCN(C(=O)CCCl)C(C)c1ccc(F)cc1
InChIInChI=1S/C13H17ClFNO/c1-3-16(13(17)8-9-14)10(2)11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKeyIMZVTSIWBOASMP-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.36
Rot. Bonds5

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

3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 54875564) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
PubChem CID54875564
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCCN(C(=O)CCCl)C(C)c1ccc(F)cc1
InChIInChI=1S/C13H17ClFNO/c1-3-16(13(17)8-9-14)10(2)11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKeyIMZVTSIWBOASMP-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide
CID 82852194
ethyl 4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 60795014
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950073
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-(prop-2-ynylamino)acetamide
CID 79287578
N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 96533403
4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 87018231
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 61029614

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide (CID 54875564) is 3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide is CCN(C(=O)CCCl)C(C)c1ccc(F)cc1.
What is the InChIKey of 3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is IMZVTSIWBOASMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-3-16(13(17)8-9-14)10(2)11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide?
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 257.74 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 54875564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).