cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C18H19F4N3O — CID 94639479

IUPACcis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1F
InChIInChI=1S/C18H19F4N3O/c1-11-23-8-9-25(11)16-7-6-12(10-15(16)19)24-17(26)13-4-2-3-5-14(13)18(20,21)22/h6-10,13-14H,2-5H2,1H3,(H,24,26)/t13-,14+/m0/s1
InChIKeyVQLWHRXNSRKDAS-UONOGXRCSA-N
MW369.36 g/mol
LogP4.63
Rot. Bonds3

About cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 94639479) has the molecular formula C18H19F4N3O and a molecular weight of 369.36 g/mol. Its IUPAC name is cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID94639479
Molecular FormulaC18H19F4N3O
Molecular Weight369.36 g/mol
Exact Mass369.15
IUPAC Namecis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1F
InChIInChI=1S/C18H19F4N3O/c1-11-23-8-9-25(11)16-7-6-12(10-15(16)19)24-17(26)13-4-2-3-5-14(13)18(20,21)22/h6-10,13-14H,2-5H2,1H3,(H,24,26)/t13-,14+/m0/s1
InChIKeyVQLWHRXNSRKDAS-UONOGXRCSA-N
XLogP4.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-N-[3-[3-fluoro-4-(2-methylimidazol-1-yl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94535759
N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 87002288
N-(4-bromo-3-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583700
2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide
CID 166405500
2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide
CID 55856619
3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide
CID 55857379
1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117438181
N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55856740
N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107620593
N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71889282
(2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide
CID 95278065
2-chloro-4-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 94639479) is cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1F.
What is the InChIKey of cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is VQLWHRXNSRKDAS-UONOGXRCSA-N. The full InChI is InChI=1S/C18H19F4N3O/c1-11-23-8-9-25(11)16-7-6-12(10-15(16)19)24-17(26)13-4-2-3-5-14(13)18(20,21)22/h6-10,13-14H,2-5H2,1H3,(H,24,26)/t13-,14+/m0/s1.
What are the key properties of cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 369.36 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 94639479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).