N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide

C20H22Cl2N2O — CID 11268912

IUPACN-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H22Cl2N2O/c21-18-8-6-16(12-19(18)22)13-24-11-10-17(14-24)23-20(25)9-7-15-4-2-1-3-5-15/h1-6,8,12,17H,7,9-11,13-14H2,(H,23,25)
InChIKeyOFIKKUMQKPOBHQ-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.32
Rot. Bonds6

About N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide

N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide (PubChem CID 11268912) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide
PubChem CID11268912
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H22Cl2N2O/c21-18-8-6-16(12-19(18)22)13-24-11-10-17(14-24)23-20(25)9-7-15-4-2-1-3-5-15/h1-6,8,12,17H,7,9-11,13-14H2,(H,23,25)
InChIKeyOFIKKUMQKPOBHQ-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide (CID 11268912) is N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide?
The InChIKey is OFIKKUMQKPOBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c21-18-8-6-16(12-19(18)22)13-24-11-10-17(14-24)23-20(25)9-7-15-4-2-1-3-5-15/h1-6,8,12,17H,7,9-11,13-14H2,(H,23,25).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide?
N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide has a molecular weight of 377.32 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 11268912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).