4-(4-chlorophenyl)oxane-4-carboxamide

C12H14ClNO2 — CID 50895870

IUPAC4-(4-chlorophenyl)oxane-4-carboxamide
SMILESNC(=O)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C12H14ClNO2/c13-10-3-1-9(2-4-10)12(11(14)15)5-7-16-8-6-12/h1-4H,5-8H2,(H2,14,15)
InChIKeyCQPFAFVHUHHLSR-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.87
Rot. Bonds2

About 4-(4-chlorophenyl)oxane-4-carboxamide

4-(4-chlorophenyl)oxane-4-carboxamide (PubChem CID 50895870) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 4-(4-chlorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)oxane-4-carboxamide
PubChem CID50895870
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name4-(4-chlorophenyl)oxane-4-carboxamide
SMILESNC(=O)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C12H14ClNO2/c13-10-3-1-9(2-4-10)12(11(14)15)5-7-16-8-6-12/h1-4H,5-8H2,(H2,14,15)
InChIKeyCQPFAFVHUHHLSR-UHFFFAOYSA-N
XLogP1.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)oxane-4-carboxamide (CID 50895870) is 4-(4-chlorophenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)oxane-4-carboxamide is NC(=O)C1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of 4-(4-chlorophenyl)oxane-4-carboxamide?
The InChIKey is CQPFAFVHUHHLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-3-1-9(2-4-10)12(11(14)15)5-7-16-8-6-12/h1-4H,5-8H2,(H2,14,15).
What are the key properties of 4-(4-chlorophenyl)oxane-4-carboxamide?
4-(4-chlorophenyl)oxane-4-carboxamide has a molecular weight of 239.70 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 50895870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).