4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide

C17H23FN2O3 — CID 56913916

IUPAC4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide
SMILESO=C(NCC1(O)CCNC1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H23FN2O3/c18-14-3-1-13(2-4-14)17(6-9-23-10-7-17)15(21)20-12-16(22)5-8-19-11-16/h1-4,19,22H,5-12H2,(H,20,21)
InChIKeyUXJDXZHDNLZMMB-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.71
Rot. Bonds4

About 4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide

4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide (PubChem CID 56913916) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide
PubChem CID56913916
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide
SMILESO=C(NCC1(O)CCNC1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H23FN2O3/c18-14-3-1-13(2-4-14)17(6-9-23-10-7-17)15(21)20-12-16(22)5-8-19-11-16/h1-4,19,22H,5-12H2,(H,20,21)
InChIKeyUXJDXZHDNLZMMB-UHFFFAOYSA-N
XLogP0.71
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119128032
4-[[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]methyl]benzoic acid
CID 119128001
4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
CID 120890135
N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456693
N-[2-(4-aminophenyl)ethyl]-4-(4-fluorophenyl)oxane-4-carboxamide;hydrochloride
CID 119547579
N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456804
3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79039118
3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 70711050
2-benzyl-3-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]propanoic acid
CID 119233889
2-chloro-1-[4-(4-fluorophenyl)oxan-4-yl]ethanone
CID 20628028
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
4-(4-fluorophenyl)-N-(1,2-thiazol-3-yl)oxane-4-carboxamide
CID 136558315

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide (CID 56913916) is 4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide is O=C(NCC1(O)CCNC1)C1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide?
The InChIKey is UXJDXZHDNLZMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c18-14-3-1-13(2-4-14)17(6-9-23-10-7-17)15(21)20-12-16(22)5-8-19-11-16/h1-4,19,22H,5-12H2,(H,20,21).
What are the key properties of 4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide?
4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 56913916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).