N-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide

C23H25FN2O2 — CID 100746020

IUPACN-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1
InChIInChI=1S/C23H25FN2O2/c1-16(2)28-18-10-11-21(17(14-18)15-25)26-22(27)23(12-6-3-7-13-23)19-8-4-5-9-20(19)24/h4-5,8-11,14,16H,3,6-7,12-13H2,1-2H3,(H,26,27)
InChIKeyBZFGTDGOIZZAQO-UHFFFAOYSA-N
MW380.46 g/mol
LogP5.33
Rot. Bonds5

About N-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide

N-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 100746020) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID100746020
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC NameN-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1
InChIInChI=1S/C23H25FN2O2/c1-16(2)28-18-10-11-21(17(14-18)15-25)26-22(27)23(12-6-3-7-13-23)19-8-4-5-9-20(19)24/h4-5,8-11,14,16H,3,6-7,12-13H2,1-2H3,(H,26,27)
InChIKeyBZFGTDGOIZZAQO-UHFFFAOYSA-N
XLogP5.33
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100746032
N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100721529
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100663768
N-[2-cyano-4-(2-methylpropoxy)phenyl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100743914
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745430
4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide
CID 100682300
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100744362
1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100672872
1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide
CID 100746676
N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100720957
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide
CID 100762030
1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983275

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide (CID 100746020) is N-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide is CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1.
What is the InChIKey of N-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is BZFGTDGOIZZAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-16(2)28-18-10-11-21(17(14-18)15-25)26-22(27)23(12-6-3-7-13-23)19-8-4-5-9-20(19)24/h4-5,8-11,14,16H,3,6-7,12-13H2,1-2H3,(H,26,27).
What are the key properties of N-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
N-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100746020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).