N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide

C29H28Cl2N4O2 — CID 23573799

IUPACN-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide
SMILESN#Cc1cccc(-c2ccc(CN(CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)CCN3CCCC3)cc2)c1
InChIInChI=1S/C29H28Cl2N4O2/c30-25-15-26(31)17-27(16-25)33-28(36)20-35(29(37)10-13-34-11-1-2-12-34)19-21-6-8-23(9-7-21)24-5-3-4-22(14-24)18-32/h3-9,14-17H,1-2,10-13,19-20H2,(H,33,36)
InChIKeyHKUXJPOEEIRZOB-UHFFFAOYSA-N
MW535.48 g/mol
LogP5.99
Rot. Bonds9

About N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide

N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 23573799) has the molecular formula C29H28Cl2N4O2 and a molecular weight of 535.48 g/mol. Its IUPAC name is N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide
PubChem CID23573799
Molecular FormulaC29H28Cl2N4O2
Molecular Weight535.48 g/mol
Exact Mass534.16
IUPAC NameN-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide
SMILESN#Cc1cccc(-c2ccc(CN(CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)CCN3CCCC3)cc2)c1
InChIInChI=1S/C29H28Cl2N4O2/c30-25-15-26(31)17-27(16-25)33-28(36)20-35(29(37)10-13-34-11-1-2-12-34)19-21-6-8-23(9-7-21)24-5-3-4-22(14-24)18-32/h3-9,14-17H,1-2,10-13,19-20H2,(H,33,36)
InChIKeyHKUXJPOEEIRZOB-UHFFFAOYSA-N
XLogP5.99
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.48
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide 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-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide (CID 23573799) is N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide is N#Cc1cccc(-c2ccc(CN(CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)CCN3CCCC3)cc2)c1.
What is the InChIKey of N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is HKUXJPOEEIRZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N4O2/c30-25-15-26(31)17-27(16-25)33-28(36)20-35(29(37)10-13-34-11-1-2-12-34)19-21-6-8-23(9-7-21)24-5-3-4-22(14-24)18-32/h3-9,14-17H,1-2,10-13,19-20H2,(H,33,36).
What are the key properties of N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide?
N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 535.48 g/mol, XLogP of 5.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 23573799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).