N-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide

C24H29Cl3N2O2 — CID 22270472

IUPACN-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)Oc1cc(Cl)cc(Cl)c1)C(Cc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C24H29Cl3N2O2/c1-16(22(29-10-4-5-11-29)12-17-6-8-18(25)9-7-17)28-23(30)24(2,3)31-21-14-19(26)13-20(27)15-21/h6-9,13-16,22H,4-5,10-12H2,1-3H3,(H,28,30)
InChIKeyYPPXETAOECIIKR-UHFFFAOYSA-N
MW483.87 g/mol
LogP6.02
Rot. Bonds8

About N-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide

N-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide (PubChem CID 22270472) has the molecular formula C24H29Cl3N2O2 and a molecular weight of 483.87 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide
PubChem CID22270472
Molecular FormulaC24H29Cl3N2O2
Molecular Weight483.87 g/mol
Exact Mass482.13
IUPAC NameN-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)Oc1cc(Cl)cc(Cl)c1)C(Cc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C24H29Cl3N2O2/c1-16(22(29-10-4-5-11-29)12-17-6-8-18(25)9-7-17)28-23(30)24(2,3)31-21-14-19(26)13-20(27)15-21/h6-9,13-16,22H,4-5,10-12H2,1-3H3,(H,28,30)
InChIKeyYPPXETAOECIIKR-UHFFFAOYSA-N
XLogP6.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.87
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide 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-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide (CID 22270472) is N-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide is CC(NC(=O)C(C)(C)Oc1cc(Cl)cc(Cl)c1)C(Cc1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of N-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide?
The InChIKey is YPPXETAOECIIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl3N2O2/c1-16(22(29-10-4-5-11-29)12-17-6-8-18(25)9-7-17)28-23(30)24(2,3)31-21-14-19(26)13-20(27)15-21/h6-9,13-16,22H,4-5,10-12H2,1-3H3,(H,28,30).
What are the key properties of N-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide?
N-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide has a molecular weight of 483.87 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-3-pyrrolidin-1-ylbutan-2-yl]-2-(3,5-dichlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 22270472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).