2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide

C14H16FN3O — CID 75507612

IUPAC2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ncc[nH]1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-2-12(10-3-5-11(15)6-4-10)14(19)18-9-13-16-7-8-17-13/h3-8,12H,2,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyLTLPCQVYOANGRM-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.36
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide

2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide (PubChem CID 75507612) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide
PubChem CID75507612
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ncc[nH]1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-2-12(10-3-5-11(15)6-4-10)14(19)18-9-13-16-7-8-17-13/h3-8,12H,2,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyLTLPCQVYOANGRM-UHFFFAOYSA-N
XLogP2.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide (CID 75507612) is 2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide is CCC(C(=O)NCc1ncc[nH]1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide?
The InChIKey is LTLPCQVYOANGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-12(10-3-5-11(15)6-4-10)14(19)18-9-13-16-7-8-17-13/h3-8,12H,2,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide?
2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide has a molecular weight of 261.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)butanamide is sourced from PubChem (CID 75507612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).