(3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide

C13H15ClFNO2 — CID 129433195

IUPAC(3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide
SMILESCCN(C(=O)[C@H]1CCOC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H15ClFNO2/c1-2-16(13(17)9-5-6-18-8-9)10-3-4-11(14)12(15)7-10/h3-4,7,9H,2,5-6,8H2,1H3/t9-/m0/s1
InChIKeyKAXUUIAQEWCWRG-VIFPVBQESA-N
MW271.72 g/mol
LogP2.87
Rot. Bonds3

About (3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide

(3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide (PubChem CID 129433195) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is (3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide
PubChem CID129433195
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name(3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide
SMILESCCN(C(=O)[C@H]1CCOC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H15ClFNO2/c1-2-16(13(17)9-5-6-18-8-9)10-3-4-11(14)12(15)7-10/h3-4,7,9H,2,5-6,8H2,1H3/t9-/m0/s1
InChIKeyKAXUUIAQEWCWRG-VIFPVBQESA-N
XLogP2.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide?
The IUPAC name of (3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide (CID 129433195) is (3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide?
The canonical SMILES for (3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide is CCN(C(=O)[C@H]1CCOC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of (3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide?
The InChIKey is KAXUUIAQEWCWRG-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-2-16(13(17)9-5-6-18-8-9)10-3-4-11(14)12(15)7-10/h3-4,7,9H,2,5-6,8H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide?
(3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide has a molecular weight of 271.72 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide is sourced from PubChem (CID 129433195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).