N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide

C11H13ClFNO2 — CID 113102910

IUPACN-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
SMILESCCC(=O)NCCOc1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO2/c1-2-11(15)14-5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyHDJFAVKPBBFBBQ-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.38
Rot. Bonds5

About N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide

N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide (PubChem CID 113102910) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
PubChem CID113102910
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
SMILESCCC(=O)NCCOc1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO2/c1-2-11(15)14-5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyHDJFAVKPBBFBBQ-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
CID 113102971
3-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,1-diethylurea
CID 112977021
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113102946
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea
CID 112977049
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102932
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112977055
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119429515
N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide
CID 113102920
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide
CID 112976964
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112976999

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide (CID 113102910) is N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide is CCC(=O)NCCOc1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide?
The InChIKey is HDJFAVKPBBFBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-2-11(15)14-5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide?
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide has a molecular weight of 245.68 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide is sourced from PubChem (CID 113102910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).