N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide

C20H20FN3O2 — CID 47014676

IUPACN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC(c1cccc(F)c1)c1nccn1C
InChIInChI=1S/C20H20FN3O2/c1-14(26-17-9-4-3-5-10-17)20(25)23-18(19-22-11-12-24(19)2)15-7-6-8-16(21)13-15/h3-14,18H,1-2H3,(H,23,25)
InChIKeyLADQKNULJWLLTH-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.23
Rot. Bonds6

About N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide (PubChem CID 47014676) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide
PubChem CID47014676
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC(c1cccc(F)c1)c1nccn1C
InChIInChI=1S/C20H20FN3O2/c1-14(26-17-9-4-3-5-10-17)20(25)23-18(19-22-11-12-24(19)2)15-7-6-8-16(21)13-15/h3-14,18H,1-2H3,(H,23,25)
InChIKeyLADQKNULJWLLTH-UHFFFAOYSA-N
XLogP3.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 40952493
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47046905
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 55772975
(2S)-2-(4-bromophenoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 25372368
2-(3-fluorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25351909
(2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide
CID 25369016
N-[1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42942160
2-(3-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 17395739
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxyacetamide
CID 94809705
2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55456727
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide?
The IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide (CID 47014676) is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NC(c1cccc(F)c1)c1nccn1C.
What is the InChIKey of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide?
The InChIKey is LADQKNULJWLLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14(26-17-9-4-3-5-10-17)20(25)23-18(19-22-11-12-24(19)2)15-7-6-8-16(21)13-15/h3-14,18H,1-2H3,(H,23,25).
What are the key properties of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide?
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide has a molecular weight of 353.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 47014676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).