5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide

C13H11ClFNO2 — CID 82109811

IUPAC5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide
SMILESCC(Cl)c1ccc(C(=O)Nc2cccc(F)c2)o1
InChIInChI=1S/C13H11ClFNO2/c1-8(14)11-5-6-12(18-11)13(17)16-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,16,17)
InChIKeyKSBVXUJHFYABIX-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.97
Rot. Bonds3

About 5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide

5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide (PubChem CID 82109811) has the molecular formula C13H11ClFNO2 and a molecular weight of 267.69 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide
PubChem CID82109811
Molecular FormulaC13H11ClFNO2
Molecular Weight267.69 g/mol
Exact Mass267.05
IUPAC Name5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide
SMILESCC(Cl)c1ccc(C(=O)Nc2cccc(F)c2)o1
InChIInChI=1S/C13H11ClFNO2/c1-8(14)11-5-6-12(18-11)13(17)16-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,16,17)
InChIKeyKSBVXUJHFYABIX-UHFFFAOYSA-N
XLogP3.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.97
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

5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 110697812
5-(2-chlorophenyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 9072315
5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 82108737
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
CID 11716200
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
N-(3-fluorophenyl)-1,3-oxazole-5-carboxamide
CID 96596303
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826
4-bromo-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 84577804
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
6-N-(3-fluorophenyl)-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109100999
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide (CID 82109811) is 5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide is CC(Cl)c1ccc(C(=O)Nc2cccc(F)c2)o1.
What is the InChIKey of 5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide?
The InChIKey is KSBVXUJHFYABIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2/c1-8(14)11-5-6-12(18-11)13(17)16-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,16,17).
What are the key properties of 5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide?
5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide has a molecular weight of 267.69 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 82109811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).