1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide

C33H40F2N2O3 — CID 143210654

IUPAC1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide
SMILESC1CCC(CN2CCCC2)CC1.COc1cc(C(=O)N(C)c2cccc(-c3ccccc3)c2)ccc1OC(F)F
InChIInChI=1S/C22H19F2NO3.C11H21N/c1-25(18-10-6-9-16(13-18)15-7-4-3-5-8-15)21(26)17-11-12-19(28-22(23)24)20(14-17)27-2;1-2-6-11(7-3-1)10-12-8-4-5-9-12/h3-14,22H,1-2H3;11H,1-10H2
InChIKeyDVOFLERYKHTKEO-UHFFFAOYSA-N
MW550.69 g/mol
LogP7.90
Rot. Bonds8

About 1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide

1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide (PubChem CID 143210654) has the molecular formula C33H40F2N2O3 and a molecular weight of 550.69 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide
PubChem CID143210654
Molecular FormulaC33H40F2N2O3
Molecular Weight550.69 g/mol
Exact Mass550.30
IUPAC Name1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide
SMILESC1CCC(CN2CCCC2)CC1.COc1cc(C(=O)N(C)c2cccc(-c3ccccc3)c2)ccc1OC(F)F
InChIInChI=1S/C22H19F2NO3.C11H21N/c1-25(18-10-6-9-16(13-18)15-7-4-3-5-8-15)21(26)17-11-12-19(28-22(23)24)20(14-17)27-2;1-2-6-11(7-3-1)10-12-8-4-5-9-12/h3-14,22H,1-2H3;11H,1-10H2
InChIKeyDVOFLERYKHTKEO-UHFFFAOYSA-N
XLogP7.90
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.69
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide?
The IUPAC name of 1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide (CID 143210654) is 1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide.
What is the SMILES notation for 1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide?
The canonical SMILES for 1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide is C1CCC(CN2CCCC2)CC1.COc1cc(C(=O)N(C)c2cccc(-c3ccccc3)c2)ccc1OC(F)F.
What is the InChIKey of 1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide?
The InChIKey is DVOFLERYKHTKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO3.C11H21N/c1-25(18-10-6-9-16(13-18)15-7-4-3-5-8-15)21(26)17-11-12-19(28-22(23)24)20(14-17)27-2;1-2-6-11(7-3-1)10-12-8-4-5-9-12/h3-14,22H,1-2H3;11H,1-10H2.
What are the key properties of 1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide?
1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide has a molecular weight of 550.69 g/mol, XLogP of 7.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)pyrrolidine;4-(difluoromethoxy)-3-methoxy-N-methyl-N-(3-phenylphenyl)benzamide is sourced from PubChem (CID 143210654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).