N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide

C18H19ClN2O — CID 7406867

IUPACN-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc(Cl)ccc1N1CCCC1
InChIInChI=1S/C18H19ClN2O/c19-15-8-9-17(21-10-4-5-11-21)16(13-15)20-18(22)12-14-6-2-1-3-7-14/h1-3,6-9,13H,4-5,10-12H2,(H,20,22)
InChIKeyJVWLKJMNFKWYEG-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.12
Rot. Bonds4

About N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide

N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide (PubChem CID 7406867) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
PubChem CID7406867
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc(Cl)ccc1N1CCCC1
InChIInChI=1S/C18H19ClN2O/c19-15-8-9-17(21-10-4-5-11-21)16(13-15)20-18(22)12-14-6-2-1-3-7-14/h1-3,6-9,13H,4-5,10-12H2,(H,20,22)
InChIKeyJVWLKJMNFKWYEG-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
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N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide
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4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide?
The IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide (CID 7406867) is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide.
What is the SMILES notation for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide?
The canonical SMILES for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cc(Cl)ccc1N1CCCC1.
What is the InChIKey of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide?
The InChIKey is JVWLKJMNFKWYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-15-8-9-17(21-10-4-5-11-21)16(13-15)20-18(22)12-14-6-2-1-3-7-14/h1-3,6-9,13H,4-5,10-12H2,(H,20,22).
What are the key properties of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide?
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide has a molecular weight of 314.82 g/mol, XLogP of 4.12, 4 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-phenylacetamide is sourced from PubChem (CID 7406867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).