(2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide

C21H22Cl2N2O3 — CID 95278526

IUPAC(2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H22Cl2N2O3/c1-13(17-6-3-4-8-19(17)28-2)24-20(26)18-7-5-9-25(18)21(27)14-10-15(22)12-16(23)11-14/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3,(H,24,26)/t13-,18-/m1/s1
InChIKeyBSXDPNLBUJBLQX-FZKQIMNGSA-N
MW421.32 g/mol
LogP4.48
Rot. Bonds5

About (2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide

(2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 95278526) has the molecular formula C21H22Cl2N2O3 and a molecular weight of 421.32 g/mol. Its IUPAC name is (2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID95278526
Molecular FormulaC21H22Cl2N2O3
Molecular Weight421.32 g/mol
Exact Mass420.10
IUPAC Name(2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H22Cl2N2O3/c1-13(17-6-3-4-8-19(17)28-2)24-20(26)18-7-5-9-25(18)21(27)14-10-15(22)12-16(23)11-14/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3,(H,24,26)/t13-,18-/m1/s1
InChIKeyBSXDPNLBUJBLQX-FZKQIMNGSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 100591301
1-(3,5-dichlorobenzoyl)-N-(4-hydroxybutan-2-yl)pyrrolidine-2-carboxamide
CID 71847723
3-[[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119221005
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
(2R)-1-(3,5-dichlorobenzoyl)-N-[(2R)-4-[(S)-methylsulfinyl]butan-2-yl]pyrrolidine-2-carboxamide
CID 98773325
(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 52530228
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide
CID 99088136
(2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 35702321
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
1-(3,5-dichlorobenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 55723327
N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 119612884
(2S)-1-(3,5-dichlorobenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 95288558

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (CID 95278526) is (2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is COc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is BSXDPNLBUJBLQX-FZKQIMNGSA-N. The full InChI is InChI=1S/C21H22Cl2N2O3/c1-13(17-6-3-4-8-19(17)28-2)24-20(26)18-7-5-9-25(18)21(27)14-10-15(22)12-16(23)11-14/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3,(H,24,26)/t13-,18-/m1/s1.
What are the key properties of (2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
(2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 421.32 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95278526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).