2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide

C101H125Cl4FN8O8 — CID 173160876

IUPAC2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC1CCC(Cc2ccccc2Cl)(N(C)C)CC1.CN(C)C1(Cc2ccccc2Cl)CCC(NC(=O)c2ccccc2Oc2ccccc2)CC1.CN(C)C1(Cc2ccccc2F)CCC(NC(=O)COc2cccc(Cl)c2)CC1.Cc1ccccc1CC1(N(C)C)CCC(NC(=O)C(C)(C)Oc2ccccc2Cl)CC1
InChIInChI=1S/C28H31ClN2O2.C26H35ClN2O2.C24H31ClN2O2.C23H28ClFN2O2/c1-31(2)28(20-21-10-6-8-14-25(21)29)18-16-22(17-19-28)30-27(32)24-13-7-9-15-26(24)33-23-11-4-3-5-12-23;1-19-10-6-7-11-20(19)18-26(29(4)5)16-14-21(15-17-26)28-24(30)25(2,3)31-23-13-9-8-12-22(23)27;1-18(29-21-10-5-4-6-11-21)23(28)26-20-13-15-24(16-14-20,27(2)3)17-19-9-7-8-12-22(19)25;1-27(2)23(15-17-6-3-4-9-21(17)25)12-10-19(11-13-23)26-22(28)16-29-20-8-5-7-18(24)14-20/h3-15,22H,16-20H2,1-2H3,(H,30,32);6-13,21H,14-18H2,1-5H3,(H,28,30);4-12,18,20H,13-17H2,1-3H3,(H,26,28);3-9,14,19H,10-13,15-16H2,1-2H3,(H,26,28)
InChIKeyOEYQZJHVNOYKFS-UHFFFAOYSA-N
MW1739.97 g/mol
LogP20.92
Rot. Bonds28

About 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide

2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide (PubChem CID 173160876) has the molecular formula C101H125Cl4FN8O8 and a molecular weight of 1739.97 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide
PubChem CID173160876
Molecular FormulaC101H125Cl4FN8O8
Molecular Weight1739.97 g/mol
Exact Mass1736.84
IUPAC Name2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC1CCC(Cc2ccccc2Cl)(N(C)C)CC1.CN(C)C1(Cc2ccccc2Cl)CCC(NC(=O)c2ccccc2Oc2ccccc2)CC1.CN(C)C1(Cc2ccccc2F)CCC(NC(=O)COc2cccc(Cl)c2)CC1.Cc1ccccc1CC1(N(C)C)CCC(NC(=O)C(C)(C)Oc2ccccc2Cl)CC1
InChIInChI=1S/C28H31ClN2O2.C26H35ClN2O2.C24H31ClN2O2.C23H28ClFN2O2/c1-31(2)28(20-21-10-6-8-14-25(21)29)18-16-22(17-19-28)30-27(32)24-13-7-9-15-26(24)33-23-11-4-3-5-12-23;1-19-10-6-7-11-20(19)18-26(29(4)5)16-14-21(15-17-26)28-24(30)25(2,3)31-23-13-9-8-12-22(23)27;1-18(29-21-10-5-4-6-11-21)23(28)26-20-13-15-24(16-14-20,27(2)3)17-19-9-7-8-12-22(19)25;1-27(2)23(15-17-6-3-4-9-21(17)25)12-10-19(11-13-23)26-22(28)16-29-20-8-5-7-18(24)14-20/h3-15,22H,16-20H2,1-2H3,(H,30,32);6-13,21H,14-18H2,1-5H3,(H,28,30);4-12,18,20H,13-17H2,1-3H3,(H,26,28);3-9,14,19H,10-13,15-16H2,1-2H3,(H,26,28)
InChIKeyOEYQZJHVNOYKFS-UHFFFAOYSA-N
XLogP20.92
TPSA166.28 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001739.97
LogP ≤ 520.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide with MolForge

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Related Compounds

N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxyacetamide;N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
CID 160652110
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
CID 11676011
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]acetamide
CID 11546132
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide
CID 11560885
N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]-2-(propan-2-ylideneamino)oxypropanamide
CID 87461798
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide
CID 11669193
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]acetamide;[2-[[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]amino]-2-oxo-1-phenylethyl] acetate
CID 159039456
(2R)-2-[[2-(3-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100559317
2-[[2-(3-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 133174937
2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114553
(2R)-2-(3-chlorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 100585169

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide (CID 173160876) is 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NC1CCC(Cc2ccccc2Cl)(N(C)C)CC1.CN(C)C1(Cc2ccccc2Cl)CCC(NC(=O)c2ccccc2Oc2ccccc2)CC1.CN(C)C1(Cc2ccccc2F)CCC(NC(=O)COc2cccc(Cl)c2)CC1.Cc1ccccc1CC1(N(C)C)CCC(NC(=O)C(C)(C)Oc2ccccc2Cl)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide?
The InChIKey is OEYQZJHVNOYKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O2.C26H35ClN2O2.C24H31ClN2O2.C23H28ClFN2O2/c1-31(2)28(20-21-10-6-8-14-25(21)29)18-16-22(17-19-28)30-27(32)24-13-7-9-15-26(24)33-23-11-4-3-5-12-23;1-19-10-6-7-11-20(19)18-26(29(4)5)16-14-21(15-17-26)28-24(30)25(2,3)31-23-13-9-8-12-22(23)27;1-18(29-21-10-5-4-6-11-21)23(28)26-20-13-15-24(16-14-20,27(2)3)17-19-9-7-8-12-22(19)25;1-27(2)23(15-17-6-3-4-9-21(17)25)12-10-19(11-13-23)26-22(28)16-29-20-8-5-7-18(24)14-20/h3-15,22H,16-20H2,1-2H3,(H,30,32);6-13,21H,14-18H2,1-5H3,(H,28,30);4-12,18,20H,13-17H2,1-3H3,(H,26,28);3-9,14,19H,10-13,15-16H2,1-2H3,(H,26,28).
What are the key properties of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide?
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide has a molecular weight of 1739.97 g/mol, XLogP of 20.92, 28 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-fluorophenyl)methyl]cyclohexyl]acetamide;2-(2-chlorophenoxy)-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]-2-methylpropanamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxybenzamide;N-[4-[(2-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-2-phenoxypropanamide is sourced from PubChem (CID 173160876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).