2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide

C17H20FN3O2 — CID 110127757

IUPAC2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O
InChIInChI=1S/C17H20FN3O2/c18-13-6-4-12(5-7-13)10-16(22)20-14-2-1-3-15(17(14)23)21-9-8-19-11-21/h4-9,11,14-15,17,23H,1-3,10H2,(H,20,22)/t14-,15-,17-/m1/s1
InChIKeyBNTVJZRIEZCTKR-BFYDXBDKSA-N
MW317.36 g/mol
LogP1.84
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide

2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide (PubChem CID 110127757) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide
PubChem CID110127757
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O
InChIInChI=1S/C17H20FN3O2/c18-13-6-4-12(5-7-13)10-16(22)20-14-2-1-3-15(17(14)23)21-9-8-19-11-21/h4-9,11,14-15,17,23H,1-3,10H2,(H,20,22)/t14-,15-,17-/m1/s1
InChIKeyBNTVJZRIEZCTKR-BFYDXBDKSA-N
XLogP1.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-difluorophenoxy)-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 56781350
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide
CID 110127815
2-amino-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 43713486
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide
CID 110127780
(3R)-4-(3-fluorophenyl)-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-3-methyl-4-oxobutanamide
CID 124865976
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide
CID 110127788
N-(2-imidazol-1-ylcyclopentyl)-2-(methylamino)acetamide
CID 43713522
2,6-di(imidazol-1-yl)cyclohexan-1-ol
CID 91619575
5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide
CID 43701618
N-(2-imidazol-1-ylcyclopentyl)-3-methylpyrrolidine-3-carboxamide
CID 63140426
5-chloro-N-(2-imidazol-1-ylcyclopentyl)furan-2-carboxamide
CID 103617988
N-[2-[(2-imidazol-1-ylcyclopentyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 60512615

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide (CID 110127757) is 2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide is O=C(Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide?
The InChIKey is BNTVJZRIEZCTKR-BFYDXBDKSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-13-6-4-12(5-7-13)10-16(22)20-14-2-1-3-15(17(14)23)21-9-8-19-11-21/h4-9,11,14-15,17,23H,1-3,10H2,(H,20,22)/t14-,15-,17-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide?
2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide has a molecular weight of 317.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide is sourced from PubChem (CID 110127757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).