2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide

C29H33Cl2N3O — CID 59809575

IUPAC2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCN(C(=O)C(C)(C)Nc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H33Cl2N3O/c1-29(2,32-24-15-16-25(30)26(31)19-24)28(35)33(3)27(20-34-17-7-8-18-34)23-13-11-22(12-14-23)21-9-5-4-6-10-21/h4-6,9-16,19,27,32H,7-8,17-18,20H2,1-3H3
InChIKeyAPQPCIVSWHKJTM-UHFFFAOYSA-N
MW510.51 g/mol
LogP7.15
Rot. Bonds8

About 2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide

2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 59809575) has the molecular formula C29H33Cl2N3O and a molecular weight of 510.51 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID59809575
Molecular FormulaC29H33Cl2N3O
Molecular Weight510.51 g/mol
Exact Mass509.20
IUPAC Name2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCN(C(=O)C(C)(C)Nc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H33Cl2N3O/c1-29(2,32-24-15-16-25(30)26(31)19-24)28(35)33(3)27(20-34-17-7-8-18-34)23-13-11-22(12-14-23)21-9-5-4-6-10-21/h4-6,9-16,19,27,32H,7-8,17-18,20H2,1-3H3
InChIKeyAPQPCIVSWHKJTM-UHFFFAOYSA-N
XLogP7.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.51
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide 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 2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide (CID 59809575) is 2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide is CN(C(=O)C(C)(C)Nc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is APQPCIVSWHKJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33Cl2N3O/c1-29(2,32-24-15-16-25(30)26(31)19-24)28(35)33(3)27(20-34-17-7-8-18-34)23-13-11-22(12-14-23)21-9-5-4-6-10-21/h4-6,9-16,19,27,32H,7-8,17-18,20H2,1-3H3.
What are the key properties of 2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 510.51 g/mol, XLogP of 7.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N,2-dimethyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 59809575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).