N-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide

C21H19FN2O2 — CID 43066204

IUPACN-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide
SMILESCC(Oc1ccccc1F)C(=O)/N=c1\ccccn1Cc1ccccc1
InChIInChI=1S/C21H19FN2O2/c1-16(26-19-12-6-5-11-18(19)22)21(25)23-20-13-7-8-14-24(20)15-17-9-3-2-4-10-17/h2-14,16H,15H2,1H3/b23-20+
InChIKeyGACJMKFDUCBRES-BSYVCWPDSA-N
MW350.39 g/mol
LogP3.57
Rot. Bonds5

About N-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide

N-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide (PubChem CID 43066204) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide
PubChem CID43066204
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC NameN-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide
SMILESCC(Oc1ccccc1F)C(=O)/N=c1\ccccn1Cc1ccccc1
InChIInChI=1S/C21H19FN2O2/c1-16(26-19-12-6-5-11-18(19)22)21(25)23-20-13-7-8-14-24(20)15-17-9-3-2-4-10-17/h2-14,16H,15H2,1H3/b23-20+
InChIKeyGACJMKFDUCBRES-BSYVCWPDSA-N
XLogP3.57
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylphenoxy)acetyl]-2-phenyl-4,5-dihydro-1H-imidazole
CID 757447
1-(phenoxyacetyl)-2-phenyl-4,5-dihydro-1H-imidazole
CID 801655
3-(2-Fluorophenyl)-4-[(2-methoxyphenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one
CID 49786382
N-benzyl-2-(2-fluorophenoxy)-N-methylpropanamide
CID 2934554
3-(4-Benzylpiperazin-1-yl)-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
CID 10435303
1-(4-Benzylpiperazin-1-yl)-2-(2-fluorophenoxy)propan-1-one
CID 2936148
3-(4-Ethoxyphenyl)-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one
CID 58485404
N-benzyl-2-(4-fluorophenoxy)-N-methylacetamide
CID 2927687
N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-(2-fluorophenoxy)acetamide
CID 3264597
2-(2-fluorophenoxy)-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)acetamide
CID 5075341
N-benzyl-2-[(4-fluorophenoxy)methyl]-4-hydroxy-N-methylpyrimidine-5-carboxamide
CID 70748282
3-[[2-(2-Fluorophenoxy)-1-phenylethyl]amino]-1-methylpyrazin-2-one
CID 71861511

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide?
The IUPAC name of N-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide (CID 43066204) is N-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide.
What is the SMILES notation for N-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide?
The canonical SMILES for N-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide is CC(Oc1ccccc1F)C(=O)/N=c1\ccccn1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide?
The InChIKey is GACJMKFDUCBRES-BSYVCWPDSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-16(26-19-12-6-5-11-18(19)22)21(25)23-20-13-7-8-14-24(20)15-17-9-3-2-4-10-17/h2-14,16H,15H2,1H3/b23-20+.
What are the key properties of N-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide?
N-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide has a molecular weight of 350.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-pyridinylidene)-2-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 43066204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).