N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide

C16H21FN2O3 — CID 162789965

IUPACN-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1OCC(NCc2ccc(F)cc2)C1O)C1CC1
InChIInChI=1S/C16H21FN2O3/c17-12-5-1-10(2-6-12)7-18-13-9-22-14(15(13)20)8-19-16(21)11-3-4-11/h1-2,5-6,11,13-15,18,20H,3-4,7-9H2,(H,19,21)
InChIKeyYRYSWJVCOCKLQY-UHFFFAOYSA-N
MW308.35 g/mol
LogP0.57
Rot. Bonds6

About N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide

N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 162789965) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID162789965
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1OCC(NCc2ccc(F)cc2)C1O)C1CC1
InChIInChI=1S/C16H21FN2O3/c17-12-5-1-10(2-6-12)7-18-13-9-22-14(15(13)20)8-19-16(21)11-3-4-11/h1-2,5-6,11,13-15,18,20H,3-4,7-9H2,(H,19,21)
InChIKeyYRYSWJVCOCKLQY-UHFFFAOYSA-N
XLogP0.57
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536640
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536621
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
CID 75536639
N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75536549
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75536547
N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536563
4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536649
N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 162789996
4-[[[(3R,4S,5R)-4-hydroxy-5-[(pyridine-4-carbonylamino)methyl]oxolan-3-yl]amino]methyl]benzoic acid
CID 75536797
N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 162812543
N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide
CID 162970604
4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]benzamide
CID 75536647

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide (CID 162789965) is N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide is O=C(NCC1OCC(NCc2ccc(F)cc2)C1O)C1CC1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is YRYSWJVCOCKLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c17-12-5-1-10(2-6-12)7-18-13-9-22-14(15(13)20)8-19-16(21)11-3-4-11/h1-2,5-6,11,13-15,18,20H,3-4,7-9H2,(H,19,21).
What are the key properties of N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide?
N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 308.35 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 162789965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).