N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide

C18H19ClN2O — CID 110649990

IUPACN-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(N2CCCC2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O/c19-16-5-1-2-6-17(16)20-18(22)13-14-7-9-15(10-8-14)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22)
InChIKeyOTGMDNLYMYDHDT-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.12
Rot. Bonds4

About N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide

N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 110649990) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID110649990
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC NameN-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(N2CCCC2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O/c19-16-5-1-2-6-17(16)20-18(22)13-14-7-9-15(10-8-14)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22)
InChIKeyOTGMDNLYMYDHDT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108954901
N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide
CID 110651282
N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037829
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-N'-(2-chlorophenyl)oxamide
CID 16891452
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110648111
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-chlorophenyl)oxamide
CID 16891953
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110651208
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492195
N-(2-bromophenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110425885
N-(2-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 25299245
2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
CID 119842058

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide (CID 110649990) is N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(Cc1ccc(N2CCCC2)cc1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is OTGMDNLYMYDHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-16-5-1-2-6-17(16)20-18(22)13-14-7-9-15(10-8-14)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide?
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide 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-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110649990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).