(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide

C26H20Cl3F3N2O2 — CID 134400599

IUPAC(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@@]1(C(F)(F)F)CCCN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H20Cl3F3N2O2/c27-18-8-10-22(19(14-18)23(35)17-5-2-1-3-6-17)33-24(36)25(26(30,31)32)11-4-12-34(25)15-16-7-9-20(28)21(29)13-16/h1-3,5-10,13-14H,4,11-12,15H2,(H,33,36)/t25-/m1/s1
InChIKeyCDLOPROXESUQHH-RUZDIDTESA-N
MW555.81 g/mol
LogP7.41
Rot. Bonds6

About (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide

(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide (PubChem CID 134400599) has the molecular formula C26H20Cl3F3N2O2 and a molecular weight of 555.81 g/mol. Its IUPAC name is (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide
PubChem CID134400599
Molecular FormulaC26H20Cl3F3N2O2
Molecular Weight555.81 g/mol
Exact Mass554.05
IUPAC Name(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@@]1(C(F)(F)F)CCCN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H20Cl3F3N2O2/c27-18-8-10-22(19(14-18)23(35)17-5-2-1-3-6-17)33-24(36)25(26(30,31)32)11-4-12-34(25)15-16-7-9-20(28)21(29)13-16/h1-3,5-10,13-14H,4,11-12,15H2,(H,33,36)/t25-/m1/s1
InChIKeyCDLOPROXESUQHH-RUZDIDTESA-N
XLogP7.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.81
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 134400602
(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-ethyl-3H-pyrrole-2-carboxamide
CID 152539233
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CID 134400641
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CID 134400612
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide
CID 134400651
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CID 5369678
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CID 3039234
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CID 4184511
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CID 2295317
N-(2-benzoyl-4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 100774842
N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56501325
N-(2-benzoyl-4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide (CID 134400599) is (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide is O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@@]1(C(F)(F)F)CCCN1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide?
The InChIKey is CDLOPROXESUQHH-RUZDIDTESA-N. The full InChI is InChI=1S/C26H20Cl3F3N2O2/c27-18-8-10-22(19(14-18)23(35)17-5-2-1-3-6-17)33-24(36)25(26(30,31)32)11-4-12-34(25)15-16-7-9-20(28)21(29)13-16/h1-3,5-10,13-14H,4,11-12,15H2,(H,33,36)/t25-/m1/s1.
What are the key properties of (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide?
(2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide has a molecular weight of 555.81 g/mol, XLogP of 7.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzoyl-4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134400599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).