N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide

C27H29FN2O2 — CID 11669193

IUPACN-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide
SMILESCN(C)C1(c2cccc(F)c2)CCC(NC(=O)c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C27H29FN2O2/c1-30(2)27(20-9-8-10-21(28)19-20)17-15-22(16-18-27)29-26(31)24-13-6-7-14-25(24)32-23-11-4-3-5-12-23/h3-14,19,22H,15-18H2,1-2H3,(H,29,31)
InChIKeyGDKUTMBSYKBNTE-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.75
Rot. Bonds6

About N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide

N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide (PubChem CID 11669193) has the molecular formula C27H29FN2O2 and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide
PubChem CID11669193
Molecular FormulaC27H29FN2O2
Molecular Weight432.54 g/mol
Exact Mass432.22
IUPAC NameN-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide
SMILESCN(C)C1(c2cccc(F)c2)CCC(NC(=O)c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C27H29FN2O2/c1-30(2)27(20-9-8-10-21(28)19-20)17-15-22(16-18-27)29-26(31)24-13-6-7-14-25(24)32-23-11-4-3-5-12-23/h3-14,19,22H,15-18H2,1-2H3,(H,29,31)
InChIKeyGDKUTMBSYKBNTE-UHFFFAOYSA-N
XLogP5.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11711207
N-(3-fluorophenyl)-2-phenoxybenzamide
CID 876611
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide
CID 11560885
N-cyclopropyl-4-fluoro-2-methoxybenzamide
CID 162421278
4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide
CID 66621576
1-(5-cyano-3-fluoro-2-pyridinyl)-3-[4-(dimethylamino)-4-phenylcyclohexyl]-1-methylurea
CID 155198534
N,N'-bis[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylheptanediamide
CID 91363823
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide
CID 46585539
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
methyl 2-[4-(dimethylamino)-4-phenylcyclohexyl]acetate;hydrochloride
CID 67386483
[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate
CID 69150882
N-cyclopropyl-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide
CID 18144260

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide?
The IUPAC name of N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide (CID 11669193) is N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide.
What is the SMILES notation for N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide?
The canonical SMILES for N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide is CN(C)C1(c2cccc(F)c2)CCC(NC(=O)c2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide?
The InChIKey is GDKUTMBSYKBNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O2/c1-30(2)27(20-9-8-10-21(28)19-20)17-15-22(16-18-27)29-26(31)24-13-6-7-14-25(24)32-23-11-4-3-5-12-23/h3-14,19,22H,15-18H2,1-2H3,(H,29,31).
What are the key properties of N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide?
N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide has a molecular weight of 432.54 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide is sourced from PubChem (CID 11669193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).