(2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide

C29H27Cl2F3N2O2 — CID 142837056

IUPAC(2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide
SMILESCN(Cc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)C1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C29H27Cl2F3N2O2/c1-36(17-18-9-11-20(12-10-18)23-5-2-3-8-26(23)29(32,33)34)28(38)25-7-4-6-24(25)27(37)35-16-19-13-21(30)15-22(31)14-19/h2-3,5,8-15,24-25H,4,6-7,16-17H2,1H3,(H,35,37)/t24-,25?/m1/s1
InChIKeyPGJYDYXIYQHPCB-IKOFQBKESA-N
MW563.45 g/mol
LogP7.37
Rot. Bonds7

About (2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide

(2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide (PubChem CID 142837056) has the molecular formula C29H27Cl2F3N2O2 and a molecular weight of 563.45 g/mol. Its IUPAC name is (2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide
PubChem CID142837056
Molecular FormulaC29H27Cl2F3N2O2
Molecular Weight563.45 g/mol
Exact Mass562.14
IUPAC Name(2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide
SMILESCN(Cc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)C1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C29H27Cl2F3N2O2/c1-36(17-18-9-11-20(12-10-18)23-5-2-3-8-26(23)29(32,33)34)28(38)25-7-4-6-24(25)27(37)35-16-19-13-21(30)15-22(31)14-19/h2-3,5,8-15,24-25H,4,6-7,16-17H2,1H3,(H,35,37)/t24-,25?/m1/s1
InChIKeyPGJYDYXIYQHPCB-IKOFQBKESA-N
XLogP7.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.45
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142837090
trans-(1S,2S)-1-N-methyl-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 11467411
cis-(1R,2S)-2-N-methyl-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclobutane-1,2-dicarboxamide
CID 142837098
(2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142837225
(2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142836950
1-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 162579334
(2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142836969
trans-(1R,2R)-1-N-methyl-1-N-[[5-(2-sulfamoylphenyl)-2-pyridinyl]methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 11758140
trans-(1R,2R)-2-N-[(4-methylphenyl)methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 10413839
methyl 2-hydroxy-2-methyl-3-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]propanoate
CID 10407465
1-benzyl-3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylurea
CID 108988898
2-N-[[4-(2-methylphenyl)phenyl]methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 75009757

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide (CID 142837056) is (2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide is CN(Cc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)C1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide?
The InChIKey is PGJYDYXIYQHPCB-IKOFQBKESA-N. The full InChI is InChI=1S/C29H27Cl2F3N2O2/c1-36(17-18-9-11-20(12-10-18)23-5-2-3-8-26(23)29(32,33)34)28(38)25-7-4-6-24(25)27(37)35-16-19-13-21(30)15-22(31)14-19/h2-3,5,8-15,24-25H,4,6-7,16-17H2,1H3,(H,35,37)/t24-,25?/m1/s1.
What are the key properties of (2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide?
(2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide has a molecular weight of 563.45 g/mol, XLogP of 7.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 142837056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).