N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide

C18H18FN3O3 — CID 113092247

IUPACN-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCn2c(=O)[nH]c3cc(F)ccc32)cc1
InChIInChI=1S/C18H18FN3O3/c1-12-2-5-14(6-3-12)25-11-17(23)20-8-9-22-16-7-4-13(19)10-15(16)21-18(22)24/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyJKNAGUWEGGWBNO-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.97
Rot. Bonds6

About N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide

N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 113092247) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
PubChem CID113092247
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCn2c(=O)[nH]c3cc(F)ccc32)cc1
InChIInChI=1S/C18H18FN3O3/c1-12-2-5-14(6-3-12)25-11-17(23)20-8-9-22-16-7-4-13(19)10-15(16)21-18(22)24/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyJKNAGUWEGGWBNO-UHFFFAOYSA-N
XLogP1.97
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3-methylbutanamide
CID 113092201
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methylphenoxy)acetamide
CID 90516244
2-(2-methoxyphenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
CID 110400765
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108574502
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 113195452
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110719111
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide
CID 91892775
2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789370
3-[4-(dimethylamino)butyl]-6-fluoro-1H-benzimidazol-2-one
CID 110491197
5-(4-fluorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pentanamide
CID 110617564
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 110786205

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide (CID 113092247) is N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCCn2c(=O)[nH]c3cc(F)ccc32)cc1.
What is the InChIKey of N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is JKNAGUWEGGWBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-12-2-5-14(6-3-12)25-11-17(23)20-8-9-22-16-7-4-13(19)10-15(16)21-18(22)24/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide?
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 343.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113092247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).