5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide

C22H19BrN2O2 — CID 46861336

IUPAC5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCn3c(C(=O)c4ccccc4)ccc32)c(Br)c1
InChIInChI=1S/C22H19BrN2O2/c1-14-7-8-18(17(23)13-14)24-22(27)16-11-12-25-19(16)9-10-20(25)21(26)15-5-3-2-4-6-15/h2-10,13,16H,11-12H2,1H3,(H,24,27)
InChIKeyLANJSGYDPUPHGZ-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.92
Rot. Bonds4

About 5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide

5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide (PubChem CID 46861336) has the molecular formula C22H19BrN2O2 and a molecular weight of 423.31 g/mol. Its IUPAC name is 5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide.

Molecular Properties

Compound Name5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide
PubChem CID46861336
Molecular FormulaC22H19BrN2O2
Molecular Weight423.31 g/mol
Exact Mass422.06
IUPAC Name5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCn3c(C(=O)c4ccccc4)ccc32)c(Br)c1
InChIInChI=1S/C22H19BrN2O2/c1-14-7-8-18(17(23)13-14)24-22(27)16-11-12-25-19(16)9-10-20(25)21(26)15-5-3-2-4-6-15/h2-10,13,16H,11-12H2,1H3,(H,24,27)
InChIKeyLANJSGYDPUPHGZ-UHFFFAOYSA-N
XLogP4.92
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzoyl-N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide
CID 46861319
5-benzoyl-N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide
CID 46861314
ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate
CID 25148271
5-[4-(4-methylphenyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 139746953
ethyl (2S,3S)-2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]-3-methylpentanoate
CID 25148351
2-[(1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl]oxyacetic acid
CID 124780812
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737103
5-[4-(4-bromophenyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 139746967
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 113008293
5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate;2-hydroxyethyl-bis(hydroxymethyl)azanium
CID 42609603

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
The IUPAC name of 5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide (CID 46861336) is 5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide.
What is the SMILES notation for 5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
The canonical SMILES for 5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide is Cc1ccc(NC(=O)C2CCn3c(C(=O)c4ccccc4)ccc32)c(Br)c1.
What is the InChIKey of 5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
The InChIKey is LANJSGYDPUPHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O2/c1-14-7-8-18(17(23)13-14)24-22(27)16-11-12-25-19(16)9-10-20(25)21(26)15-5-3-2-4-6-15/h2-10,13,16H,11-12H2,1H3,(H,24,27).
What are the key properties of 5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide?
5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide has a molecular weight of 423.31 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 46861336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).