3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide

C18H23F2N3O2 — CID 86818464

IUPAC3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)COCC(F)F)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H23F2N3O2/c1-13(22-17(24)18(2,3)11-25-10-16(19)20)14-4-6-15(7-5-14)23-9-8-21-12-23/h4-9,12-13,16H,10-11H2,1-3H3,(H,22,24)
InChIKeyMUTRWVMRMZSRDV-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.36
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide

3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide (PubChem CID 86818464) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
PubChem CID86818464
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)COCC(F)F)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H23F2N3O2/c1-13(22-17(24)18(2,3)11-25-10-16(19)20)14-4-6-15(7-5-14)23-9-8-21-12-23/h4-9,12-13,16H,10-11H2,1-3H3,(H,22,24)
InChIKeyMUTRWVMRMZSRDV-UHFFFAOYSA-N
XLogP3.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25352795
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
1-[(2S)-2-hydroxy-3-methoxypropyl]-3-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-methylurea
CID 95133099
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 111503946
(2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 94796519
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 27812010
2-(2-fluorophenoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 17498298
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 25367883
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide (CID 86818464) is 3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)COCC(F)F)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is MUTRWVMRMZSRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c1-13(22-17(24)18(2,3)11-25-10-16(19)20)14-4-6-15(7-5-14)23-9-8-21-12-23/h4-9,12-13,16H,10-11H2,1-3H3,(H,22,24).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide?
3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 351.40 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 86818464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).