N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C15H20Br2N2O — CID 106979652

IUPACN-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cc(Br)c(NC(=O)C2(C(C)C)CCNC2)c(Br)c1
InChIInChI=1S/C15H20Br2N2O/c1-9(2)15(4-5-18-8-15)14(20)19-13-11(16)6-10(3)7-12(13)17/h6-7,9,18H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyLOPAJNUKEKKJPY-UHFFFAOYSA-N
MW404.15 g/mol
LogP4.09
Rot. Bonds3

About N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106979652) has the molecular formula C15H20Br2N2O and a molecular weight of 404.15 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106979652
Molecular FormulaC15H20Br2N2O
Molecular Weight404.15 g/mol
Exact Mass401.99
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cc(Br)c(NC(=O)C2(C(C)C)CCNC2)c(Br)c1
InChIInChI=1S/C15H20Br2N2O/c1-9(2)15(4-5-18-8-15)14(20)19-13-11(16)6-10(3)7-12(13)17/h6-7,9,18H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyLOPAJNUKEKKJPY-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.15
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide
CID 106979653
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
4-bromo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980315
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide
CID 107588576
N-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981171

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106979652) is N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is Cc1cc(Br)c(NC(=O)C2(C(C)C)CCNC2)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is LOPAJNUKEKKJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O/c1-9(2)15(4-5-18-8-15)14(20)19-13-11(16)6-10(3)7-12(13)17/h6-7,9,18H,4-5,8H2,1-3H3,(H,19,20).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 404.15 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106979652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).