N-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide

C17H16FN3O2 — CID 134033080

IUPACN-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nn2cnc3ccccc32)cc1F
InChIInChI=1S/C17H16FN3O2/c1-23-16-8-6-12(10-13(16)18)7-9-17(22)20-21-11-19-14-4-2-3-5-15(14)21/h2-6,8,10-11H,7,9H2,1H3,(H,20,22)
InChIKeyVCSVQIYRQOXTBR-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.89
Rot. Bonds5

About N-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide

N-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide (PubChem CID 134033080) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide
PubChem CID134033080
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nn2cnc3ccccc32)cc1F
InChIInChI=1S/C17H16FN3O2/c1-23-16-8-6-12(10-13(16)18)7-9-17(22)20-21-11-19-14-4-2-3-5-15(14)21/h2-6,8,10-11H,7,9H2,1H3,(H,20,22)
InChIKeyVCSVQIYRQOXTBR-UHFFFAOYSA-N
XLogP2.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzimidazol-1-yl)-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
CID 30299770
N-(benzimidazol-1-yl)-3-oxobutanamide
CID 87961400
3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266
N-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide
CID 34328240
2-[3-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230904
N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 166197703
3-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110001057
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51315396
3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide
CID 51275993
3-[3-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]pyrazol-1-yl]propanoic acid
CID 154783276
2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 75429383
1-(3-fluoro-4-methoxyphenyl)pentan-3-one
CID 43175845

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide?
The IUPAC name of N-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide (CID 134033080) is N-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide?
The canonical SMILES for N-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nn2cnc3ccccc32)cc1F.
What is the InChIKey of N-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide?
The InChIKey is VCSVQIYRQOXTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-23-16-8-6-12(10-13(16)18)7-9-17(22)20-21-11-19-14-4-2-3-5-15(14)21/h2-6,8,10-11H,7,9H2,1H3,(H,20,22).
What are the key properties of N-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide?
N-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide has a molecular weight of 313.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-3-(3-fluoro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 134033080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).