N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide

C13H16ClNO2 — CID 2970803

IUPACN-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C13H16ClNO2/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h3-6,12H,1-2,7-9H2,(H,15,16)
InChIKeyULWXVLOJLRJQJG-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.18
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide (PubChem CID 2970803) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide
PubChem CID2970803
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C13H16ClNO2/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h3-6,12H,1-2,7-9H2,(H,15,16)
InChIKeyULWXVLOJLRJQJG-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide (CID 2970803) is N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCCO1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is ULWXVLOJLRJQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h3-6,12H,1-2,7-9H2,(H,15,16).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 2970803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).