3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide

C18H21FN2O2 — CID 60589527

IUPAC3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide
SMILESCCCOc1ncccc1CNC(=O)CCc1cccc(F)c1
InChIInChI=1S/C18H21FN2O2/c1-2-11-23-18-15(6-4-10-20-18)13-21-17(22)9-8-14-5-3-7-16(19)12-14/h3-7,10,12H,2,8-9,11,13H2,1H3,(H,21,22)
InChIKeyVEIPPELWBWNTTR-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.26
Rot. Bonds8

About 3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide

3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide (PubChem CID 60589527) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide
PubChem CID60589527
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide
SMILESCCCOc1ncccc1CNC(=O)CCc1cccc(F)c1
InChIInChI=1S/C18H21FN2O2/c1-2-11-23-18-15(6-4-10-20-18)13-21-17(22)9-8-14-5-3-7-16(19)12-14/h3-7,10,12H,2,8-9,11,13H2,1H3,(H,21,22)
InChIKeyVEIPPELWBWNTTR-UHFFFAOYSA-N
XLogP3.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
CID 37487522
2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
CID 60616135
1-[2-(3-fluorophenyl)ethyl]-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111394835
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 42520255
3-(2-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38534369
3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 37487440
N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide
CID 122561459
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 86944304
3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 110717379
3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
CID 110730389
N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52760208

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide (CID 60589527) is 3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide is CCCOc1ncccc1CNC(=O)CCc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide?
The InChIKey is VEIPPELWBWNTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-2-11-23-18-15(6-4-10-20-18)13-21-17(22)9-8-14-5-3-7-16(19)12-14/h3-7,10,12H,2,8-9,11,13H2,1H3,(H,21,22).
What are the key properties of 3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide?
3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide has a molecular weight of 316.38 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 60589527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).