2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C15H11ClFN3O3 — CID 112778728

IUPAC2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H11ClFN3O3/c16-10-6-9(2-3-11(10)17)23-7-14(21)18-8-1-4-12-13(5-8)20-15(22)19-12/h1-6H,7H2,(H,18,21)(H2,19,20,22)
InChIKeyZNYAQQMSISQYHH-UHFFFAOYSA-N
MW335.72 g/mol
LogP2.67
Rot. Bonds4

About 2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 112778728) has the molecular formula C15H11ClFN3O3 and a molecular weight of 335.72 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID112778728
Molecular FormulaC15H11ClFN3O3
Molecular Weight335.72 g/mol
Exact Mass335.05
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H11ClFN3O3/c16-10-6-9(2-3-11(10)17)23-7-14(21)18-8-1-4-12-13(5-8)20-15(22)19-12/h1-6H,7H2,(H,18,21)(H2,19,20,22)
InChIKeyZNYAQQMSISQYHH-UHFFFAOYSA-N
XLogP2.67
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.72
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
CID 2559686
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
2-(2,4-difluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 31887504
N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 134002141
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide
CID 8579924
N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide
CID 2215496
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 4665308
2-dibenzofuran-2-yloxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 26645002
2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide
CID 22577335
N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757682
N-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide
CID 17202080

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 112778728) is 2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is O=C(COc1ccc(F)c(Cl)c1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is ZNYAQQMSISQYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O3/c16-10-6-9(2-3-11(10)17)23-7-14(21)18-8-1-4-12-13(5-8)20-15(22)19-12/h1-6H,7H2,(H,18,21)(H2,19,20,22).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 335.72 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 112778728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).