N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide

C16H15FN4O — CID 16785328

IUPACN-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide
SMILESNc1ccc(F)c(NC(=O)CCn2cnc3ccccc32)c1
InChIInChI=1S/C16H15FN4O/c17-12-6-5-11(18)9-14(12)20-16(22)7-8-21-10-19-13-3-1-2-4-15(13)21/h1-6,9-10H,7-8,18H2,(H,20,22)
InChIKeySNDVQMLDYFCHKT-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.79
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide

N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide (PubChem CID 16785328) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide
PubChem CID16785328
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC NameN-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide
SMILESNc1ccc(F)c(NC(=O)CCn2cnc3ccccc32)c1
InChIInChI=1S/C16H15FN4O/c17-12-6-5-11(18)9-14(12)20-16(22)7-8-21-10-19-13-3-1-2-4-15(13)21/h1-6,9-10H,7-8,18H2,(H,20,22)
InChIKeySNDVQMLDYFCHKT-UHFFFAOYSA-N
XLogP2.79
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690
N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide
CID 43376194
3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 60554892
3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63819900
N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
CID 62962290
3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide
CID 34879800
3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide
CID 36848593
3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 37294247
2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid
CID 63914686
N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
CID 16784484
3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 36840698

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide (CID 16785328) is N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide is Nc1ccc(F)c(NC(=O)CCn2cnc3ccccc32)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide?
The InChIKey is SNDVQMLDYFCHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c17-12-6-5-11(18)9-14(12)20-16(22)7-8-21-10-19-13-3-1-2-4-15(13)21/h1-6,9-10H,7-8,18H2,(H,20,22).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide?
N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide has a molecular weight of 298.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide is sourced from PubChem (CID 16785328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).