3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide

C17H25ClN2O2 — CID 51096129

IUPAC3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C)N1CCC(CNC(=O)CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O2/c1-13(2)20-9-7-14(12-20)11-19-17(21)8-10-22-16-5-3-15(18)4-6-16/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)
InChIKeyATTBUHIBYSXQQO-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.96
Rot. Bonds7

About 3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide

3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 51096129) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
PubChem CID51096129
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C)N1CCC(CNC(=O)CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O2/c1-13(2)20-9-7-14(12-20)11-19-17(21)8-10-22-16-5-3-15(18)4-6-16/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)
InChIKeyATTBUHIBYSXQQO-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]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-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 94799999
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide
CID 51094737
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide
CID 107027490
N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886576
2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 94800055
2-phenoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 16895414
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
CID 95209551
3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 131890705
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 95388376
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-methoxyphenoxy)butanamide
CID 86984895
2-[(2-methylpropan-2-yl)oxy]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 112605266

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide (CID 51096129) is 3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide is CC(C)N1CCC(CNC(=O)CCOc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is ATTBUHIBYSXQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-13(2)20-9-7-14(12-20)11-19-17(21)8-10-22-16-5-3-15(18)4-6-16/h3-6,13-14H,7-12H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide?
3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 324.85 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 51096129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).