N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide

C13H11ClFNO3 — CID 113102920

IUPACN-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1Cl)c1ccco1
InChIInChI=1S/C13H11ClFNO3/c14-10-8-9(15)3-4-11(10)19-7-5-16-13(17)12-2-1-6-18-12/h1-4,6,8H,5,7H2,(H,16,17)
InChIKeyUCAVRBCPYQZKSO-UHFFFAOYSA-N
MW283.69 g/mol
LogP2.88
Rot. Bonds5

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

N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide (PubChem CID 113102920) has the molecular formula C13H11ClFNO3 and a molecular weight of 283.69 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide
PubChem CID113102920
Molecular FormulaC13H11ClFNO3
Molecular Weight283.69 g/mol
Exact Mass283.04
IUPAC NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1Cl)c1ccco1
InChIInChI=1S/C13H11ClFNO3/c14-10-8-9(15)3-4-11(10)19-7-5-16-13(17)12-2-1-6-18-12/h1-4,6,8H,5,7H2,(H,16,17)
InChIKeyUCAVRBCPYQZKSO-UHFFFAOYSA-N
XLogP2.88
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide
CID 113102801
2-(2-chloro-4-fluorophenoxy)-1-(furan-2-yl)ethanone
CID 60624476
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113102946
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102932
methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
CID 113102971
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide
CID 113101908
3-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,1-diethylurea
CID 112977021
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide
CID 174406685
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea
CID 112977061
N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
CID 99711043
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea
CID 112977049

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide (CID 113102920) is N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide is O=C(NCCOc1ccc(F)cc1Cl)c1ccco1.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide?
The InChIKey is UCAVRBCPYQZKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3/c14-10-8-9(15)3-4-11(10)19-7-5-16-13(17)12-2-1-6-18-12/h1-4,6,8H,5,7H2,(H,16,17).
What are the key properties of N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide?
N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide has a molecular weight of 283.69 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide is sourced from PubChem (CID 113102920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).