N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide

C18H15F2N3O — CID 73355728

IUPACN-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide
SMILESCC(=O)N(Cc1cnc[nH]1)c1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C18H15F2N3O/c1-12(24)23(10-16-9-21-11-22-16)18-7-4-14(8-17(18)20)13-2-5-15(19)6-3-13/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyMPGJKLBKGYIEDM-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.91
Rot. Bonds4

About N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide

N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide (PubChem CID 73355728) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide
PubChem CID73355728
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC NameN-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide
SMILESCC(=O)N(Cc1cnc[nH]1)c1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C18H15F2N3O/c1-12(24)23(10-16-9-21-11-22-16)18-7-4-14(8-17(18)20)13-2-5-15(19)6-3-13/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyMPGJKLBKGYIEDM-UHFFFAOYSA-N
XLogP3.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide?
The IUPAC name of N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide (CID 73355728) is N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide.
What is the SMILES notation for N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide?
The canonical SMILES for N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide is CC(=O)N(Cc1cnc[nH]1)c1ccc(-c2ccc(F)cc2)cc1F.
What is the InChIKey of N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide?
The InChIKey is MPGJKLBKGYIEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-12(24)23(10-16-9-21-11-22-16)18-7-4-14(8-17(18)20)13-2-5-15(19)6-3-13/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide?
N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide has a molecular weight of 327.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide is sourced from PubChem (CID 73355728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).