bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane

C41H44Cl4F2N2O2 — CID 167552414

IUPACbis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane
SMILESC.O=C(CC1CCC(c2ccc(Cl)cc2F)CC1)Nc1ccc(Cl)cc1.O=C(CC1CCC(c2ccc(Cl)cc2F)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/2C20H20Cl2FNO.CH4/c2*21-15-5-8-17(9-6-15)24-20(25)11-13-1-3-14(4-2-13)18-10-7-16(22)12-19(18)23;/h2*5-10,12-14H,1-4,11H2,(H,24,25);1H4
InChIKeyCOQSWRDHOPPUDO-UHFFFAOYSA-N
MW776.62 g/mol
LogP13.51
Rot. Bonds8

About bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane

bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane (PubChem CID 167552414) has the molecular formula C41H44Cl4F2N2O2 and a molecular weight of 776.62 g/mol. Its IUPAC name is bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane.

Molecular Properties

Compound Namebis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane
PubChem CID167552414
Molecular FormulaC41H44Cl4F2N2O2
Molecular Weight776.62 g/mol
Exact Mass774.21
IUPAC Namebis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane
SMILESC.O=C(CC1CCC(c2ccc(Cl)cc2F)CC1)Nc1ccc(Cl)cc1.O=C(CC1CCC(c2ccc(Cl)cc2F)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/2C20H20Cl2FNO.CH4/c2*21-15-5-8-17(9-6-15)24-20(25)11-13-1-3-14(4-2-13)18-10-7-16(22)12-19(18)23;/h2*5-10,12-14H,1-4,11H2,(H,24,25);1H4
InChIKeyCOQSWRDHOPPUDO-UHFFFAOYSA-N
XLogP13.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.62
LogP ≤ 513.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-(4-phenylcyclohexyl)acetamide
CID 121325203
4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 991929
N-(2-chlorophenyl)-2-(2-fluoro[1,1'-biphenyl]-4-yl)propanamide
CID 11841750
4-Phenyl-1,4-dihydro-N3,N5-bis(3-chloro-4-fluorophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 49777671
N-[4-chloro-3-(trifluoromethyl)phenyl]-6,6-bis(4-fluorophenyl)hexanamide
CID 162664999
N-(4-chlorophenyl)-3,3-diphenylpropanamide
CID 690533
N3,N5-bis(3-chlorophenyl)-4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 367697
4-(Anthracen-9-yl)-N,N'-bis(3-chloro-4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 49777685
N,N-Bis(p-chlorophenyl)-3-(p-tolyl)glutaric acid
CID 191890
CID 139064680
CID 139064680
(2R,5S,7R)-2-(3-chlorophenyl)-5,7-dimethyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]adamantane-1-carboxamide
CID 168303649
N-(4-chlorophenyl)-2,2-diphenylacetamide
CID 305505

Frequently Asked Questions

What is the IUPAC name of bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane?
The IUPAC name of bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane (CID 167552414) is bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane.
What is the SMILES notation for bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane?
The canonical SMILES for bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane is C.O=C(CC1CCC(c2ccc(Cl)cc2F)CC1)Nc1ccc(Cl)cc1.O=C(CC1CCC(c2ccc(Cl)cc2F)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane?
The InChIKey is COQSWRDHOPPUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20Cl2FNO.CH4/c2*21-15-5-8-17(9-6-15)24-20(25)11-13-1-3-14(4-2-13)18-10-7-16(22)12-19(18)23;/h2*5-10,12-14H,1-4,11H2,(H,24,25);1H4.
What are the key properties of bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane?
bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane has a molecular weight of 776.62 g/mol, XLogP of 13.51, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane is sourced from PubChem (CID 167552414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).