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

C18H19ClN2O2 — CID 822273

IUPAC2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H19ClN2O2/c19-14-3-9-17(10-4-14)23-13-18(22)20-15-5-7-16(8-6-15)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22)
InChIKeyCAVKYIYVZNSUCL-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.96
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 822273) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID822273
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H19ClN2O2/c19-14-3-9-17(10-4-14)23-13-18(22)20-15-5-7-16(8-6-15)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22)
InChIKeyCAVKYIYVZNSUCL-UHFFFAOYSA-N
XLogP3.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427785
2-(4-chlorophenoxy)-N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]acetamide
CID 1056071
4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide
CID 60601304
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922496
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236
2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500
N-[4-(azepan-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 7582308
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 1010577
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 94140245
2-(4-chlorophenoxy)-N-[4-(cyclopentylamino)phenyl]acetamide
CID 112980612
N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide
CID 7966124

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 822273) is 2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is CAVKYIYVZNSUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-14-3-9-17(10-4-14)23-13-18(22)20-15-5-7-16(8-6-15)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 822273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).