2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

C21H24Cl2N2O2 — CID 44579804

IUPAC2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1
InChIInChI=1S/C21H24Cl2N2O2/c1-15(27-20-7-3-2-6-19(20)23)21(26)25(14-18-5-4-12-24-18)13-16-8-10-17(22)11-9-16/h2-3,6-11,15,18,24H,4-5,12-14H2,1H3/t15?,18-/m1/s1
InChIKeyIGHOXILLFNEXFN-KPMSDPLLSA-N
MW407.34 g/mol
LogP4.54
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 44579804) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID44579804
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1
InChIInChI=1S/C21H24Cl2N2O2/c1-15(27-20-7-3-2-6-19(20)23)21(26)25(14-18-5-4-12-24-18)13-16-8-10-17(22)11-9-16/h2-3,6-11,15,18,24H,4-5,12-14H2,1H3/t15?,18-/m1/s1
InChIKeyIGHOXILLFNEXFN-KPMSDPLLSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-(2-chlorobenzyl)-2-(3-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 11258291
3-(3,4-Dichloro-phenoxy)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573223
N-benzyl-2-phenoxy-N-((R)-pyrrolidin-2-ylmethyl)butanamide
CID 44579755
N-(2-Methyl-benzyl)-2-phenoxy-N-(R)-1-pyrrolidin-2-ylmethyl-propionamide
CID 44579775
N-(3-Methyl-benzyl)-2-phenoxy-N-(R)-1-pyrrolidin-2-ylmethyl-propionamide
CID 44579776
N-(3-chlorobenzyl)-2-(2-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579802
2-(3-Chloro-phenoxy)-N-(3-methyl-benzyl)-N-(R)-1-pyrrolidin-2-ylmethyl-propionamide
CID 44579824
N-(3-chlorobenzyl)-2-(3-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579840
N-[2-(4-chlorophenyl)-2-(piperidin-1-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 16015122
2-(2-chlorophenoxy)-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}acetamide
CID 16015362

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (CID 44579804) is 2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is CC(Oc1ccccc1Cl)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is IGHOXILLFNEXFN-KPMSDPLLSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-15(27-20-7-3-2-6-19(20)23)21(26)25(14-18-5-4-12-24-18)13-16-8-10-17(22)11-9-16/h2-3,6-11,15,18,24H,4-5,12-14H2,1H3/t15?,18-/m1/s1.
What are the key properties of 2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 407.34 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 44579804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).