3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide

C31H29FN2O3 — CID 26340235

IUPAC3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1cccc(-c2cccc(F)c2)c1)N(Cc1cccc(OC[C@H]2CCOC2)c1)Cc1ccccn1
InChIInChI=1S/C31H29FN2O3/c32-28-10-5-8-26(18-28)25-7-4-9-27(17-25)31(35)34(20-29-11-1-2-14-33-29)19-23-6-3-12-30(16-23)37-22-24-13-15-36-21-24/h1-12,14,16-18,24H,13,15,19-22H2/t24-/m0/s1
InChIKeyZVIKNKFHFWSFPA-DEOSSOPVSA-N
MW496.58 g/mol
LogP6.15
Rot. Bonds9

About 3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide

3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 26340235) has the molecular formula C31H29FN2O3 and a molecular weight of 496.58 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID26340235
Molecular FormulaC31H29FN2O3
Molecular Weight496.58 g/mol
Exact Mass496.22
IUPAC Name3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1cccc(-c2cccc(F)c2)c1)N(Cc1cccc(OC[C@H]2CCOC2)c1)Cc1ccccn1
InChIInChI=1S/C31H29FN2O3/c32-28-10-5-8-26(18-28)25-7-4-9-27(17-25)31(35)34(20-29-11-1-2-14-33-29)19-23-6-3-12-30(16-23)37-22-24-13-15-36-21-24/h1-12,14,16-18,24H,13,15,19-22H2/t24-/m0/s1
InChIKeyZVIKNKFHFWSFPA-DEOSSOPVSA-N
XLogP6.15
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.58
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 45205894
3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 42319962
N-cyclopropyl-3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]benzamide
CID 42377641
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 45220438
N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
CID 42277857
3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 42274795
5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 26353603
2,3-dimethyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 42166452
4-methyl-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 45205532
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide
CID 45175320
N-[[3-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 26349493
5-chloro-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 42171813

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 26340235) is 3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide is O=C(c1cccc(-c2cccc(F)c2)c1)N(Cc1cccc(OC[C@H]2CCOC2)c1)Cc1ccccn1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is ZVIKNKFHFWSFPA-DEOSSOPVSA-N. The full InChI is InChI=1S/C31H29FN2O3/c32-28-10-5-8-26(18-28)25-7-4-9-27(17-25)31(35)34(20-29-11-1-2-14-33-29)19-23-6-3-12-30(16-23)37-22-24-13-15-36-21-24/h1-12,14,16-18,24H,13,15,19-22H2/t24-/m0/s1.
What are the key properties of 3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide?
3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 496.58 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 26340235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).