2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide

C17H13FN4O2 — CID 71985123

IUPAC2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)NCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C17H13FN4O2/c18-12-5-6-13-14(7-12)22-16(21-13)9-20-17(23)10-24-15-4-2-1-3-11(15)8-19/h1-7H,9-10H2,(H,20,23)(H,21,22)
InChIKeyGTGFFLWEJPDHBQ-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.27
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide

2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide (PubChem CID 71985123) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide
PubChem CID71985123
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)NCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C17H13FN4O2/c18-12-5-6-13-14(7-12)22-16(21-13)9-20-17(23)10-24-15-4-2-1-3-11(15)8-19/h1-7H,9-10H2,(H,20,23)(H,21,22)
InChIKeyGTGFFLWEJPDHBQ-UHFFFAOYSA-N
XLogP2.27
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 55901129
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 7733369
2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979331
2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285823
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide
CID 59018424
2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 119885380
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358
2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103883525
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 71867281

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide (CID 71985123) is 2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide is N#Cc1ccccc1OCC(=O)NCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide?
The InChIKey is GTGFFLWEJPDHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-12-5-6-13-14(7-12)22-16(21-13)9-20-17(23)10-24-15-4-2-1-3-11(15)8-19/h1-7H,9-10H2,(H,20,23)(H,21,22).
What are the key properties of 2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide?
2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide has a molecular weight of 324.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 71985123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).