N-(3-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide

C14H18ClFN2O2 — CID 66254978

IUPACN-(3-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C14H18ClFN2O2/c1-2-6-17-12-8-20-7-9(12)14(19)18-11-5-3-4-10(15)13(11)16/h3-5,9,12,17H,2,6-8H2,1H3,(H,18,19)
InChIKeyWJJFLTDXFNXHME-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.43
Rot. Bonds5

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

N-(3-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66254978) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66254978
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC NameN-(3-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C14H18ClFN2O2/c1-2-6-17-12-8-20-7-9(12)14(19)18-11-5-3-4-10(15)13(11)16/h3-5,9,12,17H,2,6-8H2,1H3,(H,18,19)
InChIKeyWJJFLTDXFNXHME-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide (CID 66254978) is N-(3-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is WJJFLTDXFNXHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-2-6-17-12-8-20-7-9(12)14(19)18-11-5-3-4-10(15)13(11)16/h3-5,9,12,17H,2,6-8H2,1H3,(H,18,19).
What are the key properties of N-(3-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide?
N-(3-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 300.76 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66254978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).