2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide

C14H16FN3O2 — CID 115668455

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2ncc[nH]2)cc1F
InChIInChI=1S/C14H16FN3O2/c1-20-12-3-2-10(8-11(12)15)9-14(19)18-5-4-13-16-6-7-17-13/h2-3,6-8H,4-5,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyDZEGHDWJMSAOCH-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.46
Rot. Bonds6

About 2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide

2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide (PubChem CID 115668455) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
PubChem CID115668455
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2ncc[nH]2)cc1F
InChIInChI=1S/C14H16FN3O2/c1-20-12-3-2-10(8-11(12)15)9-14(19)18-5-4-13-16-6-7-17-13/h2-3,6-8H,4-5,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyDZEGHDWJMSAOCH-UHFFFAOYSA-N
XLogP1.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 115620121
2-(2,6-difluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115686762
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
CID 110766984
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17433243
N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
CID 115668473
N-[2-(1H-imidazol-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 115620119
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
2-(3-fluoro-4-methoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60682387
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667128
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
3-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 110744092
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 17417504

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide (CID 115668455) is 2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide is COc1ccc(CC(=O)NCCc2ncc[nH]2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
The InChIKey is DZEGHDWJMSAOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-20-12-3-2-10(8-11(12)15)9-14(19)18-5-4-13-16-6-7-17-13/h2-3,6-8H,4-5,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide has a molecular weight of 277.30 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 115668455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).