N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide

C24H23ClN2O — CID 7892275

IUPACN-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23ClN2O/c25-20-13-14-22(27-15-7-8-16-27)21(17-20)26-24(28)23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-14,17,23H,7-8,15-16H2,(H,26,28)
InChIKeyQOWFOAZEHGDBGL-UHFFFAOYSA-N
MW390.91 g/mol
LogP5.71
Rot. Bonds5

About N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide

N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide (PubChem CID 7892275) has the molecular formula C24H23ClN2O and a molecular weight of 390.91 g/mol. Its IUPAC name is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide
PubChem CID7892275
Molecular FormulaC24H23ClN2O
Molecular Weight390.91 g/mol
Exact Mass390.15
IUPAC NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23ClN2O/c25-20-13-14-22(27-15-7-8-16-27)21(17-20)26-24(28)23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-14,17,23H,7-8,15-16H2,(H,26,28)
InChIKeyQOWFOAZEHGDBGL-UHFFFAOYSA-N
XLogP5.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.91
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 111536320
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N-(5-chloro-2-piperidin-1-ylphenyl)-2-pyrazol-1-ylpropanamide
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N-(5-chloro-2-piperidin-1-ylphenyl)-2-(phenylcarbamoylamino)acetamide
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1-(5-chloro-2-piperidin-1-ylphenyl)-3-propylurea
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1-benzyl-3-(5-chloro-2-pyrrolidin-1-ylphenyl)thiourea
CID 8684114
(2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26707711
N-[2-(azepan-1-yl)phenyl]-2-hydroxy-2-phenylacetamide
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CID 52914895

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide?
The IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide (CID 7892275) is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide?
The canonical SMILES for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide is O=C(Nc1cc(Cl)ccc1N1CCCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide?
The InChIKey is QOWFOAZEHGDBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O/c25-20-13-14-22(27-15-7-8-16-27)21(17-20)26-24(28)23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-14,17,23H,7-8,15-16H2,(H,26,28).
What are the key properties of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide?
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide has a molecular weight of 390.91 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide is sourced from PubChem (CID 7892275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).