N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide

C19H19FN2O3 — CID 27456693

IUPACN-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C19H19FN2O3/c20-15-5-3-14(4-6-15)19(9-11-25-12-10-19)18(24)22-16-7-1-13(2-8-16)17(21)23/h1-8H,9-12H2,(H2,21,23)(H,22,24)
InChIKeyPRUHONLIXBBCQM-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.61
Rot. Bonds4

About N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide

N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide (PubChem CID 27456693) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
PubChem CID27456693
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C19H19FN2O3/c20-15-5-3-14(4-6-15)19(9-11-25-12-10-19)18(24)22-16-7-1-13(2-8-16)17(21)23/h1-8H,9-12H2,(H2,21,23)(H,22,24)
InChIKeyPRUHONLIXBBCQM-UHFFFAOYSA-N
XLogP2.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]oxane-4-carboxamide
CID 49422466
N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582638
2-methoxyethyl N-[3-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]phenyl]carbamate
CID 47741212
N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582532
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683600
4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide
CID 100683391
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
4-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxane-4-carboxamide
CID 75417143
4-(4-fluorophenyl)-N-(1,2-thiazol-3-yl)oxane-4-carboxamide
CID 136558315
4-[[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]methyl]benzoic acid
CID 119128001
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide (CID 27456693) is N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide is NC(=O)c1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
The InChIKey is PRUHONLIXBBCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-5-3-14(4-6-15)19(9-11-25-12-10-19)18(24)22-16-7-1-13(2-8-16)17(21)23/h1-8H,9-12H2,(H2,21,23)(H,22,24).
What are the key properties of N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide?
N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 27456693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).