N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide

C12H13ClFNO2 — CID 71755478

IUPACN-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide
SMILESCC(=O)NCCc1cc(C(=O)CCl)ccc1F
InChIInChI=1S/C12H13ClFNO2/c1-8(16)15-5-4-9-6-10(12(17)7-13)2-3-11(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyPTPUAQCLFKDGRP-UHFFFAOYSA-N
MW257.69 g/mol
LogP1.93
Rot. Bonds5

About N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide

N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide (PubChem CID 71755478) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide
PubChem CID71755478
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC NameN-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide
SMILESCC(=O)NCCc1cc(C(=O)CCl)ccc1F
InChIInChI=1S/C12H13ClFNO2/c1-8(16)15-5-4-9-6-10(12(17)7-13)2-3-11(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyPTPUAQCLFKDGRP-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide
CID 7131311
N-[2-(4-fluoro-7-hydroxynaphthalen-1-yl)ethyl]acetamide
CID 162686390
N-[4,4-bis(4-chlorophenyl)-3-fluorobut-3-enyl]acetamide
CID 44556937
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
1-amino-3-[2-(5-chloro-2-fluorophenyl)ethyl]urea
CID 115192937
N-[2-[2-(2-fluorophenyl)ethylamino]ethyl]acetamide
CID 103604204
N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide
CID 66717796
N-[2-(5-chloro-2-sulfamoylphenyl)ethyl]acetamide
CID 118162125
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
CID 110788169
2-(2,5-difluorophenyl)ethylurea
CID 115168493
[5-(2-acetamidoethyl)-4-(18F)fluoro-2-methylphenyl] acetate
CID 158145982

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide (CID 71755478) is N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide is CC(=O)NCCc1cc(C(=O)CCl)ccc1F.
What is the InChIKey of N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide?
The InChIKey is PTPUAQCLFKDGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c1-8(16)15-5-4-9-6-10(12(17)7-13)2-3-11(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16).
What are the key properties of N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide?
N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide has a molecular weight of 257.69 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-chloroacetyl)-2-fluorophenyl]ethyl]acetamide is sourced from PubChem (CID 71755478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).