N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide

C19H20Cl2N2O — CID 11202371

IUPACN-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H20Cl2N2O/c20-17-7-6-15(10-18(17)21)12-23-9-8-16(13-23)22-19(24)11-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H,22,24)
InChIKeyHIRYXRSGVDWVGH-UHFFFAOYSA-N
MW363.29 g/mol
LogP3.93
Rot. Bonds5

About N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide

N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide (PubChem CID 11202371) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide
PubChem CID11202371
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H20Cl2N2O/c20-17-7-6-15(10-18(17)21)12-23-9-8-16(13-23)22-19(24)11-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H,22,24)
InChIKeyHIRYXRSGVDWVGH-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide (CID 11202371) is N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide?
The InChIKey is HIRYXRSGVDWVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-17-7-6-15(10-18(17)21)12-23-9-8-16(13-23)22-19(24)11-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H,22,24).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide?
N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide has a molecular weight of 363.29 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 11202371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).