N-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide

C13H16ClFN2O2 — CID 66260395

IUPACN-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C13H16ClFN2O2/c1-2-16-12-7-19-6-9(12)13(18)17-11-5-8(14)3-4-10(11)15/h3-5,9,12,16H,2,6-7H2,1H3,(H,17,18)
InChIKeyFUHKERQDQOVYCN-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.04
Rot. Bonds4

About N-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide

N-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 66260395) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
PubChem CID66260395
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC NameN-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C13H16ClFN2O2/c1-2-16-12-7-19-6-9(12)13(18)17-11-5-8(14)3-4-10(11)15/h3-5,9,12,16H,2,6-7H2,1H3,(H,17,18)
InChIKeyFUHKERQDQOVYCN-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide (CID 66260395) is N-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is FUHKERQDQOVYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-2-16-12-7-19-6-9(12)13(18)17-11-5-8(14)3-4-10(11)15/h3-5,9,12,16H,2,6-7H2,1H3,(H,17,18).
What are the key properties of N-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
N-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 286.73 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66260395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).