5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide

C14H12ClNO3 — CID 71691402

IUPAC5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCNC(=O)c1ccc(Oc2cccc(Cl)c2)o1
InChIInChI=1S/C14H12ClNO3/c1-2-8-16-14(17)12-6-7-13(19-12)18-11-5-3-4-10(15)9-11/h2-7,9H,1,8H2,(H,16,17)
InChIKeyGLNCTHXHCUBQOL-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.64
Rot. Bonds5

About 5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide

5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide (PubChem CID 71691402) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide
PubChem CID71691402
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCNC(=O)c1ccc(Oc2cccc(Cl)c2)o1
InChIInChI=1S/C14H12ClNO3/c1-2-8-16-14(17)12-6-7-13(19-12)18-11-5-3-4-10(15)9-11/h2-7,9H,1,8H2,(H,16,17)
InChIKeyGLNCTHXHCUBQOL-UHFFFAOYSA-N
XLogP3.64
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 71691397
5-(3,5-dichlorophenoxy)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 2814401
2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
CID 2707683
5-phenoxy-N-(2-phenylethyl)furan-2-carboxamide
CID 75361139
3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050974
1-[2-(3-chlorophenoxy)propanoylamino]-3-prop-2-enylthiourea
CID 17371318
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
1-N-[2-(4-chlorophenyl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050914
N-[(3-carbamoylphenyl)methyl]-5-phenoxyfuran-2-carboxamide
CID 71863392
N'-(3-chlorophenyl)-N-prop-2-enyloxamide
CID 2058074
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide
CID 119431846

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide?
The IUPAC name of 5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide (CID 71691402) is 5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide is C=CCNC(=O)c1ccc(Oc2cccc(Cl)c2)o1.
What is the InChIKey of 5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide?
The InChIKey is GLNCTHXHCUBQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-2-8-16-14(17)12-6-7-13(19-12)18-11-5-3-4-10(15)9-11/h2-7,9H,1,8H2,(H,16,17).
What are the key properties of 5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide?
5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide is sourced from PubChem (CID 71691402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).