2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

C20H23ClN2O2 — CID 56559401

IUPAC2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCC1CCN(c2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C20H23ClN2O2/c1-14-11-12-23(13-14)18-7-5-17(6-8-18)22-20(24)15(2)25-19-9-3-16(21)4-10-19/h3-10,14-15H,11-13H2,1-2H3,(H,22,24)
InChIKeyNWPFFVJTSUPRMX-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.59
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (PubChem CID 56559401) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
PubChem CID56559401
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCC1CCN(c2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C20H23ClN2O2/c1-14-11-12-23(13-14)18-7-5-17(6-8-18)22-20(24)15(2)25-19-9-3-16(21)4-10-19/h3-10,14-15H,11-13H2,1-2H3,(H,22,24)
InChIKeyNWPFFVJTSUPRMX-UHFFFAOYSA-N
XLogP4.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.59
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-(3-methylpyrrolidin-1-yl)phenyl]propanamide 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-(3-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56555945
2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559429
N-[4-(azepan-1-yl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 18291163
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 18268297
2-(4-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 17419365
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99971545
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate
CID 41408806
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56555956

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (CID 56559401) is 2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide is CC1CCN(c2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is NWPFFVJTSUPRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14-11-12-23(13-14)18-7-5-17(6-8-18)22-20(24)15(2)25-19-9-3-16(21)4-10-19/h3-10,14-15H,11-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 358.87 g/mol, XLogP of 4.59, 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-(3-methylpyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 56559401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).