N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide

C17H25ClN2O2 — CID 51094737

IUPACN-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NCC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O2/c1-13(2)22-10-8-17(21)19-11-14-7-9-20(12-14)16-5-3-15(18)4-6-16/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)
InChIKeyGRMBMOXNCNWKBR-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.10
Rot. Bonds7

About N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide

N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide (PubChem CID 51094737) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide
PubChem CID51094737
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NCC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O2/c1-13(2)22-10-8-17(21)19-11-14-7-9-20(12-14)16-5-3-15(18)4-6-16/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)
InChIKeyGRMBMOXNCNWKBR-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide 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

N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 166217219
N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide
CID 94814610
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 110640634
N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide
CID 94809660
3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 51096129
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51094994
N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 94812810
methyl 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981420
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine-1-carboxamide
CID 166184698
2-(4-chlorophenoxy)-N-[[1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]acetamide
CID 166192634

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide (CID 51094737) is N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)NCC1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide?
The InChIKey is GRMBMOXNCNWKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-13(2)22-10-8-17(21)19-11-14-7-9-20(12-14)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 N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide?
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide has a molecular weight of 324.85 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 51094737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).