2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide

C19H20FN3O3 — CID 84560321

IUPAC2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2nc3ccc(F)cc3[nH]2)c(OC)c1
InChIInChI=1S/C19H20FN3O3/c1-25-14-5-3-12(17(11-14)26-2)9-19(24)21-8-7-18-22-15-6-4-13(20)10-16(15)23-18/h3-6,10-11H,7-9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWHWXXKFHTFCUMU-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.62
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide

2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide (PubChem CID 84560321) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
PubChem CID84560321
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2nc3ccc(F)cc3[nH]2)c(OC)c1
InChIInChI=1S/C19H20FN3O3/c1-25-14-5-3-12(17(11-14)26-2)9-19(24)21-8-7-18-22-15-6-4-13(20)10-16(15)23-18/h3-6,10-11H,7-9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWHWXXKFHTFCUMU-UHFFFAOYSA-N
XLogP2.62
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64529419
2-(4-bromo-3-methylphenoxy)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 59018394
2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 27256771
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118781489
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90649915
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide
CID 77089120
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
CID 120504301
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110615942
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
2-(2-ethyl-3H-benzimidazol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110772738

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide (CID 84560321) is 2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide is COc1ccc(CC(=O)NCCc2nc3ccc(F)cc3[nH]2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide?
The InChIKey is WHWXXKFHTFCUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-25-14-5-3-12(17(11-14)26-2)9-19(24)21-8-7-18-22-15-6-4-13(20)10-16(15)23-18/h3-6,10-11H,7-9H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide has a molecular weight of 357.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 84560321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).