3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide

C19H18FN3O — CID 86960699

IUPAC3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide
SMILESCC(CC(=O)Nc1ccc(-n2ccnc2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H18FN3O/c1-14(15-3-2-4-16(20)12-15)11-19(24)22-17-5-7-18(8-6-17)23-10-9-21-13-23/h2-10,12-14H,11H2,1H3,(H,22,24)
InChIKeyVTYAOHOKZWNPSQ-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.14
Rot. Bonds5

About 3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide

3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide (PubChem CID 86960699) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide
PubChem CID86960699
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide
SMILESCC(CC(=O)Nc1ccc(-n2ccnc2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H18FN3O/c1-14(15-3-2-4-16(20)12-15)11-19(24)22-17-5-7-18(8-6-17)23-10-9-21-13-23/h2-10,12-14H,11H2,1H3,(H,22,24)
InChIKeyVTYAOHOKZWNPSQ-UHFFFAOYSA-N
XLogP4.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 17441104
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 41139369
(3R)-3-(3-fluorophenyl)-N-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709390
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
3-(3-fluorophenyl)-N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 75447862
(3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide
CID 97339857
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543
2-[3-(3-fluorophenyl)butanoylamino]butanoic acid
CID 119223317
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide (CID 86960699) is 3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide is CC(CC(=O)Nc1ccc(-n2ccnc2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide?
The InChIKey is VTYAOHOKZWNPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-14(15-3-2-4-16(20)12-15)11-19(24)22-17-5-7-18(8-6-17)23-10-9-21-13-23/h2-10,12-14H,11H2,1H3,(H,22,24).
What are the key properties of 3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide?
3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide has a molecular weight of 323.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide is sourced from PubChem (CID 86960699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).