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

C19H19FN2O3 — CID 4198331

IUPACN-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C19H19FN2O3/c20-15-7-3-13(4-8-15)12-21-18(23)14-5-9-16(10-6-14)22-19(24)17-2-1-11-25-17/h3-10,17H,1-2,11-12H2,(H,21,23)(H,22,24)
InChIKeyJVQFJVGQRPHCBS-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.87
Rot. Bonds5

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

N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 4198331) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID4198331
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C19H19FN2O3/c20-15-7-3-13(4-8-15)12-21-18(23)14-5-9-16(10-6-14)22-19(24)17-2-1-11-25-17/h3-10,17H,1-2,11-12H2,(H,21,23)(H,22,24)
InChIKeyJVQFJVGQRPHCBS-UHFFFAOYSA-N
XLogP2.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[[4-(methylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 47160865
N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide
CID 106910070
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 120786924
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]oxolane-3-carboxamide
CID 71918324
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134035566

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 4198331) is N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is JVQFJVGQRPHCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-7-3-13(4-8-15)12-21-18(23)14-5-9-16(10-6-14)22-19(24)17-2-1-11-25-17/h3-10,17H,1-2,11-12H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 4198331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).