5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide

C16H16ClNO4 — CID 71691397

IUPAC5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Oc2cccc(Cl)c2)o1
InChIInChI=1S/C16H16ClNO4/c17-11-3-1-4-12(9-11)21-15-7-6-14(22-15)16(19)18-10-13-5-2-8-20-13/h1,3-4,6-7,9,13H,2,5,8,10H2,(H,18,19)
InChIKeyPLCALQNQOKVYKK-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.63
Rot. Bonds5

About 5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide

5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide (PubChem CID 71691397) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is 5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
PubChem CID71691397
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Oc2cccc(Cl)c2)o1
InChIInChI=1S/C16H16ClNO4/c17-11-3-1-4-12(9-11)21-15-7-6-14(22-15)16(19)18-10-13-5-2-8-20-13/h1,3-4,6-7,9,13H,2,5,8,10H2,(H,18,19)
InChIKeyPLCALQNQOKVYKK-UHFFFAOYSA-N
XLogP3.63
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 5039250
5-(2-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 95756967
5-(2-methoxyphenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 75537750
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
5-(3-chlorophenoxy)-N-prop-2-enylfuran-2-carboxamide
CID 71691402
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate
CID 7803969
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
5-chloro-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19240931
6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096215
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
N-(oxolan-2-ylmethyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24980461
4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205676

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide (CID 71691397) is 5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide is O=C(NCC1CCCO1)c1ccc(Oc2cccc(Cl)c2)o1.
What is the InChIKey of 5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is PLCALQNQOKVYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c17-11-3-1-4-12(9-11)21-15-7-6-14(22-15)16(19)18-10-13-5-2-8-20-13/h1,3-4,6-7,9,13H,2,5,8,10H2,(H,18,19).
What are the key properties of 5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 321.76 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 71691397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).