N-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide

C19H22FN3O2 — CID 75385901

IUPACN-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccnc1)CC1CCCO1)Nc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c20-16-5-7-17(8-6-16)22-19(24)14-23(13-18-4-2-10-25-18)12-15-3-1-9-21-11-15/h1,3,5-9,11,18H,2,4,10,12-14H2,(H,22,24)
InChIKeyLMDNWMQTKGQCAN-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.84
Rot. Bonds7

About N-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide

N-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 75385901) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID75385901
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccnc1)CC1CCCO1)Nc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c20-16-5-7-17(8-6-16)22-19(24)14-23(13-18-4-2-10-25-18)12-15-3-1-9-21-11-15/h1,3,5-9,11,18H,2,4,10,12-14H2,(H,22,24)
InChIKeyLMDNWMQTKGQCAN-UHFFFAOYSA-N
XLogP2.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide (CID 75385901) is N-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide is O=C(CN(Cc1cccnc1)CC1CCCO1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is LMDNWMQTKGQCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-16-5-7-17(8-6-16)22-19(24)14-23(13-18-4-2-10-25-18)12-15-3-1-9-21-11-15/h1,3,5-9,11,18H,2,4,10,12-14H2,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide?
N-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 343.40 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 75385901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).