3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide

C14H17Br3N2O — CID 106979653

IUPAC3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2c(Br)cc(Br)cc2Br)CCNC1
InChIInChI=1S/C14H17Br3N2O/c1-8(2)14(3-4-18-7-14)13(20)19-12-10(16)5-9(15)6-11(12)17/h5-6,8,18H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyCWONCMAAHNPXDG-UHFFFAOYSA-N
MW469.02 g/mol
LogP4.55
Rot. Bonds3

About 3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide

3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide (PubChem CID 106979653) has the molecular formula C14H17Br3N2O and a molecular weight of 469.02 g/mol. Its IUPAC name is 3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide
PubChem CID106979653
Molecular FormulaC14H17Br3N2O
Molecular Weight469.02 g/mol
Exact Mass465.89
IUPAC Name3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2c(Br)cc(Br)cc2Br)CCNC1
InChIInChI=1S/C14H17Br3N2O/c1-8(2)14(3-4-18-7-14)13(20)19-12-10(16)5-9(15)6-11(12)17/h5-6,8,18H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyCWONCMAAHNPXDG-UHFFFAOYSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.02
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-propan-2-yl-N-(2,4,6-tribromophenyl)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-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979652
4-bromo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980315
N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981313
N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979641
N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980846
N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979573
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide
CID 107588576
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981315

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide (CID 106979653) is 3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide is CC(C)C1(C(=O)Nc2c(Br)cc(Br)cc2Br)CCNC1.
What is the InChIKey of 3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide?
The InChIKey is CWONCMAAHNPXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br3N2O/c1-8(2)14(3-4-18-7-14)13(20)19-12-10(16)5-9(15)6-11(12)17/h5-6,8,18H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of 3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide?
3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide has a molecular weight of 469.02 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106979653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).