N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide

C26H32Cl2N2O2 — CID 10195542

IUPACN-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)C(C)(C)C)C1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H32Cl2N2O2/c1-17(29-24(31)20-13-14-30(16-20)25(32)26(2,3)4)23(19-7-11-22(28)12-8-19)15-18-5-9-21(27)10-6-18/h5-12,17,20,23H,13-16H2,1-4H3,(H,29,31)
InChIKeyVNRJWXDHDFDZNM-UHFFFAOYSA-N
MW475.46 g/mol
LogP5.72
Rot. Bonds6

About N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide

N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide (PubChem CID 10195542) has the molecular formula C26H32Cl2N2O2 and a molecular weight of 475.46 g/mol. Its IUPAC name is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide
PubChem CID10195542
Molecular FormulaC26H32Cl2N2O2
Molecular Weight475.46 g/mol
Exact Mass474.18
IUPAC NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)C(C)(C)C)C1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H32Cl2N2O2/c1-17(29-24(31)20-13-14-30(16-20)25(32)26(2,3)4)23(19-7-11-22(28)12-8-19)15-18-5-9-21(27)10-6-18/h5-12,17,20,23H,13-16H2,1-4H3,(H,29,31)
InChIKeyVNRJWXDHDFDZNM-UHFFFAOYSA-N
XLogP5.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.46
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide 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-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide
CID 10152547
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 51254315
N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide
CID 10025786
1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 47986994
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 10194383
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
CID 22270527
1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142714451
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 75872095
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47990926
1-(2,2-dimethylpropanoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 55454351
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide
CID 10237327
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18121105

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide (CID 10195542) is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide is CC(NC(=O)C1CCN(C(=O)C(C)(C)C)C1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide?
The InChIKey is VNRJWXDHDFDZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Cl2N2O2/c1-17(29-24(31)20-13-14-30(16-20)25(32)26(2,3)4)23(19-7-11-22(28)12-8-19)15-18-5-9-21(27)10-6-18/h5-12,17,20,23H,13-16H2,1-4H3,(H,29,31).
What are the key properties of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide?
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide has a molecular weight of 475.46 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 10195542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).