N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide

C13H14ClNO3 — CID 71969033

IUPACN-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)C2CCOC2)c1
InChIInChI=1S/C13H14ClNO3/c1-8(16)9-2-3-11(14)12(6-9)15-13(17)10-4-5-18-7-10/h2-3,6,10H,4-5,7H2,1H3,(H,15,17)
InChIKeyVCAHBAFNDSGRHT-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.52
Rot. Bonds3

About N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide

N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide (PubChem CID 71969033) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide
PubChem CID71969033
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC NameN-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)C2CCOC2)c1
InChIInChI=1S/C13H14ClNO3/c1-8(16)9-2-3-11(14)12(6-9)15-13(17)10-4-5-18-7-10/h2-3,6,10H,4-5,7H2,1H3,(H,15,17)
InChIKeyVCAHBAFNDSGRHT-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide?
The IUPAC name of N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide (CID 71969033) is N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide is CC(=O)c1ccc(Cl)c(NC(=O)C2CCOC2)c1.
What is the InChIKey of N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide?
The InChIKey is VCAHBAFNDSGRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-8(16)9-2-3-11(14)12(6-9)15-13(17)10-4-5-18-7-10/h2-3,6,10H,4-5,7H2,1H3,(H,15,17).
What are the key properties of N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide?
N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide has a molecular weight of 267.71 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 71969033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).