1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide

C24H30FNO2 — CID 100674556

IUPAC1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OCC(C)C
InChIInChI=1S/C24H30FNO2/c1-17(2)16-28-22-12-11-21(15-18(22)3)26-23(27)24(13-5-4-6-14-24)19-7-9-20(25)10-8-19/h7-12,15,17H,4-6,13-14,16H2,1-3H3,(H,26,27)
InChIKeyROOZWUIDQUATOE-UHFFFAOYSA-N
MW383.51 g/mol
LogP6.01
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide

1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 100674556) has the molecular formula C24H30FNO2 and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID100674556
Molecular FormulaC24H30FNO2
Molecular Weight383.51 g/mol
Exact Mass383.23
IUPAC Name1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OCC(C)C
InChIInChI=1S/C24H30FNO2/c1-17(2)16-28-22-12-11-21(15-18(22)3)26-23(27)24(13-5-4-6-14-24)19-7-9-20(25)10-8-19/h7-12,15,17H,4-6,13-14,16H2,1-3H3,(H,26,27)
InChIKeyROOZWUIDQUATOE-UHFFFAOYSA-N
XLogP6.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.51
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672586
N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664950
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664966
1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 100672535
N-(4-butoxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672545
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674689
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100714064
N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674701
methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 100718733
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658573

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide (CID 100674556) is 1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide is Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OCC(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is ROOZWUIDQUATOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO2/c1-17(2)16-28-22-12-11-21(15-18(22)3)26-23(27)24(13-5-4-6-14-24)19-7-9-20(25)10-8-19/h7-12,15,17H,4-6,13-14,16H2,1-3H3,(H,26,27).
What are the key properties of 1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide?
1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 383.51 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 100674556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).