3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide

C18H15F2N3O — CID 43003580

IUPAC3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(F)cc(F)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H15F2N3O/c1-12(22-18(24)14-8-15(19)10-16(20)9-14)13-2-4-17(5-3-13)23-7-6-21-11-23/h2-12H,1H3,(H,22,24)
InChIKeySGASBVIDVZHJRQ-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.64
Rot. Bonds4

About 3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide

3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide (PubChem CID 43003580) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
PubChem CID43003580
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(F)cc(F)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H15F2N3O/c1-12(22-18(24)14-8-15(19)10-16(20)9-14)13-2-4-17(5-3-13)23-7-6-21-11-23/h2-12H,1H3,(H,22,24)
InChIKeySGASBVIDVZHJRQ-UHFFFAOYSA-N
XLogP3.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
CID 27812115
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 31206996
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533466
2-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 155944963
3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 40633096
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 31207168
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 42905501
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide (CID 43003580) is 3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide is CC(NC(=O)c1cc(F)cc(F)c1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is SGASBVIDVZHJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-12(22-18(24)14-8-15(19)10-16(20)9-14)13-2-4-17(5-3-13)23-7-6-21-11-23/h2-12H,1H3,(H,22,24).
What are the key properties of 3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 327.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 43003580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).