(2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide

C28H26ClF4N3O3 — CID 142836950

IUPAC(2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide
SMILESCN(Cc1ccc(-c2ccc(F)cc2Cl)cn1)C(=O)C1CCC[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C28H26ClF4N3O3/c1-36(16-20-9-7-18(15-34-20)22-12-8-19(30)13-25(22)29)27(38)24-4-2-3-23(24)26(37)35-14-17-5-10-21(11-6-17)39-28(31,32)33/h5-13,15,23-24H,2-4,14,16H2,1H3,(H,35,37)/t23-,24?/m1/s1
InChIKeyBFBYICVIEMVBDY-MIHMCVIASA-N
MW563.98 g/mol
LogP6.13
Rot. Bonds8

About (2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide

(2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide (PubChem CID 142836950) has the molecular formula C28H26ClF4N3O3 and a molecular weight of 563.98 g/mol. Its IUPAC name is (2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide
PubChem CID142836950
Molecular FormulaC28H26ClF4N3O3
Molecular Weight563.98 g/mol
Exact Mass563.16
IUPAC Name(2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide
SMILESCN(Cc1ccc(-c2ccc(F)cc2Cl)cn1)C(=O)C1CCC[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C28H26ClF4N3O3/c1-36(16-20-9-7-18(15-34-20)22-12-8-19(30)13-25(22)29)27(38)24-4-2-3-23(24)26(37)35-14-17-5-10-21(11-6-17)39-28(31,32)33/h5-13,15,23-24H,2-4,14,16H2,1H3,(H,35,37)/t23-,24?/m1/s1
InChIKeyBFBYICVIEMVBDY-MIHMCVIASA-N
XLogP6.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.98
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide with MolForge

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Related Compounds

(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-(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)-2-N-[(3,5-dichlorophenyl)methyl]-1-N-methyl-1-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142837056
trans-(1R,2R)-2-(5-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 45486759
(1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142837090
CID 174067264
CID 174067264
cis-(1R,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 887867
2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 2933604
trans-(1S,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6593035
3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119717344

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide?
The IUPAC name of (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) is (2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide is CN(Cc1ccc(-c2ccc(F)cc2Cl)cn1)C(=O)C1CCC[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide?
The InChIKey is BFBYICVIEMVBDY-MIHMCVIASA-N. The full InChI is InChI=1S/C28H26ClF4N3O3/c1-36(16-20-9-7-18(15-34-20)22-12-8-19(30)13-25(22)29)27(38)24-4-2-3-23(24)26(37)35-14-17-5-10-21(11-6-17)39-28(31,32)33/h5-13,15,23-24H,2-4,14,16H2,1H3,(H,35,37)/t23-,24?/m1/s1.
What are the key properties of (2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide?
(2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide has a molecular weight of 563.98 g/mol, XLogP of 6.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[[5-(2-chloro-4-fluorophenyl)-2-pyridinyl]methyl]-1-N-methyl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 142836950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).