N-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide

C18H17FN2O3 — CID 4198335

IUPACN-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C18H17FN2O3/c19-13-5-9-15(10-6-13)20-17(22)12-3-7-14(8-4-12)21-18(23)16-2-1-11-24-16/h3-10,16H,1-2,11H2,(H,20,22)(H,21,23)
InChIKeyKKHKREHQCVWUSJ-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.20
Rot. Bonds4

About N-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide

N-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 4198335) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID4198335
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C18H17FN2O3/c19-13-5-9-15(10-6-13)20-17(22)12-3-7-14(8-4-12)21-18(23)16-2-1-11-24-16/h3-10,16H,1-2,11H2,(H,20,22)(H,21,23)
InChIKeyKKHKREHQCVWUSJ-UHFFFAOYSA-N
XLogP3.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 4198335) is N-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is KKHKREHQCVWUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-13-5-9-15(10-6-13)20-17(22)12-3-7-14(8-4-12)21-18(23)16-2-1-11-24-16/h3-10,16H,1-2,11H2,(H,20,22)(H,21,23).
What are the key properties of N-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
N-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 4198335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).