N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C15H21BrN2O2 — CID 106980846

IUPACN-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2(C(C)C)CCNC2)cc1Br
InChIInChI=1S/C15H21BrN2O2/c1-10(2)15(6-7-17-9-15)14(19)18-11-4-5-13(20-3)12(16)8-11/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyHPASWLCSTMLUBT-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.03
Rot. Bonds4

About N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980846) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980846
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2(C(C)C)CCNC2)cc1Br
InChIInChI=1S/C15H21BrN2O2/c1-10(2)15(6-7-17-9-15)14(19)18-11-4-5-13(20-3)12(16)8-11/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyHPASWLCSTMLUBT-UHFFFAOYSA-N
XLogP3.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979999
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979908
3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide
CID 106979653
2-fluoro-4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 107795101
N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979652
N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981241
3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980261
N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979573
N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981090
(2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982097

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980846) is N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2(C(C)C)CCNC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is HPASWLCSTMLUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(2)15(6-7-17-9-15)14(19)18-11-4-5-13(20-3)12(16)8-11/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,18,19).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).