N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide

C21H19FN2O2 — CID 39327415

IUPACN-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide
SMILESC[C@@H](NC(=O)c1ccccc1OCc1ccncc1)c1ccccc1F
InChIInChI=1S/C21H19FN2O2/c1-15(17-6-2-4-8-19(17)22)24-21(25)18-7-3-5-9-20(18)26-14-16-10-12-23-13-11-16/h2-13,15H,14H2,1H3,(H,24,25)/t15-/m1/s1
InChIKeyHIVUSRICLLNTQR-OAHLLOKOSA-N
MW350.39 g/mol
LogP4.29
Rot. Bonds6

About N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide

N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide (PubChem CID 39327415) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide
PubChem CID39327415
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC NameN-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide
SMILESC[C@@H](NC(=O)c1ccccc1OCc1ccncc1)c1ccccc1F
InChIInChI=1S/C21H19FN2O2/c1-15(17-6-2-4-8-19(17)22)24-21(25)18-7-3-5-9-20(18)26-14-16-10-12-23-13-11-16/h2-13,15H,14H2,1H3,(H,24,25)/t15-/m1/s1
InChIKeyHIVUSRICLLNTQR-OAHLLOKOSA-N
XLogP4.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide
CID 114344109
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide
CID 28566302
2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 105380534
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
CID 99953141
3-[4-[[2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenoxy]methyl]phenyl]propanoic acid
CID 174458870
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
2-iodo-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55808073
3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid
CID 174458853
(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid
CID 54368898
N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide
CID 167930528
2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55433083

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide (CID 39327415) is N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide is C[C@@H](NC(=O)c1ccccc1OCc1ccncc1)c1ccccc1F.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is HIVUSRICLLNTQR-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-15(17-6-2-4-8-19(17)22)24-21(25)18-7-3-5-9-20(18)26-14-16-10-12-23-13-11-16/h2-13,15H,14H2,1H3,(H,24,25)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide?
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 350.39 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 39327415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).