3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide

C19H20FN3O2 — CID 110610959

IUPAC3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C19H20FN3O2/c20-15-9-6-14(7-10-15)8-11-18(24)21-12-3-13-23-17-5-2-1-4-16(17)22-19(23)25/h1-2,4-7,9-10H,3,8,11-13H2,(H,21,24)(H,22,25)
InChIKeyFRMRGSQHRQHWKS-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.61
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide

3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide (PubChem CID 110610959) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
PubChem CID110610959
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C19H20FN3O2/c20-15-9-6-14(7-10-15)8-11-18(24)21-12-3-13-23-17-5-2-1-4-16(17)22-19(23)25/h1-2,4-7,9-10H,3,8,11-13H2,(H,21,24)(H,22,25)
InChIKeyFRMRGSQHRQHWKS-UHFFFAOYSA-N
XLogP2.61
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide
CID 110419711
5-(4-fluorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pentanamide
CID 110617564
3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
CID 110419764
3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide
CID 110420339
4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
CID 110420411
4-(2-methylphenyl)-4-oxo-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
CID 110611000
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
CID 21273383
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110400789
4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide
CID 110420297
4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419732
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110396431

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide (CID 110610959) is 3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide is O=C(CCc1ccc(F)cc1)NCCCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide?
The InChIKey is FRMRGSQHRQHWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-15-9-6-14(7-10-15)8-11-18(24)21-12-3-13-23-17-5-2-1-4-16(17)22-19(23)25/h1-2,4-7,9-10H,3,8,11-13H2,(H,21,24)(H,22,25).
What are the key properties of 3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide?
3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide has a molecular weight of 341.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide is sourced from PubChem (CID 110610959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).