1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide

C21H20FN3O — CID 30840348

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H20FN3O/c1-15(16-2-8-19(9-3-16)25-13-12-23-14-25)24-20(26)21(10-11-21)17-4-6-18(22)7-5-17/h2-9,12-15H,10-11H2,1H3,(H,24,26)/t15-/m0/s1
InChIKeyBCEHJHPHQRNKTA-HNNXBMFYSA-N
MW349.41 g/mol
LogP3.92
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 30840348) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID30840348
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H20FN3O/c1-15(16-2-8-19(9-3-16)25-13-12-23-14-25)24-20(26)21(10-11-21)17-4-6-18(22)7-5-17/h2-9,12-15H,10-11H2,1H3,(H,24,26)/t15-/m0/s1
InChIKeyBCEHJHPHQRNKTA-HNNXBMFYSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide
CID 59527765
N-[1-(4-cyanophenyl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 56811633
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
2-cyclopentyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 27811841
1-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51199191
5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46589003
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 95086523
2-(2-fluorophenoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 17498298
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
CID 25339932

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide (CID 30840348) is 1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is BCEHJHPHQRNKTA-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-15(16-2-8-19(9-3-16)25-13-12-23-14-25)24-20(26)21(10-11-21)17-4-6-18(22)7-5-17/h2-9,12-15H,10-11H2,1H3,(H,24,26)/t15-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 30840348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).