1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide

C18H16BrIN2O2 — CID 60612291

IUPAC1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrIN2O2/c19-13-5-3-12(4-6-13)18(24)22-11-1-2-16(22)17(23)21-15-9-7-14(20)8-10-15/h3-10,16H,1-2,11H2,(H,21,23)
InChIKeyWYBUTSSTZKJTPZ-UHFFFAOYSA-N
MW499.15 g/mol
LogP4.30
Rot. Bonds3

About 1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide

1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide (PubChem CID 60612291) has the molecular formula C18H16BrIN2O2 and a molecular weight of 499.15 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
PubChem CID60612291
Molecular FormulaC18H16BrIN2O2
Molecular Weight499.15 g/mol
Exact Mass497.94
IUPAC Name1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrIN2O2/c19-13-5-3-12(4-6-13)18(24)22-11-1-2-16(22)17(23)21-15-9-7-14(20)8-10-15/h3-10,16H,1-2,11H2,(H,21,23)
InChIKeyWYBUTSSTZKJTPZ-UHFFFAOYSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.15
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 167748566
N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
CID 42950684
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
(2R)-1-[(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carbonyl]-N-(4-formylphenyl)pyrrolidine-2-carboxamide
CID 170549537
4-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119170941
4-[[(2S)-1-(4-nitrobenzoyl)pyrrolidine-2-carbonyl]amino]benzoic acid
CID 90349211
1-(4-bromobenzoyl)-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 47091441
(2R)-1-(4-bromobenzoyl)-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-2-carboxamide
CID 52831006
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698
1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 46756185
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46745579

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide (CID 60612291) is 1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(I)cc1)C1CCCN1C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide?
The InChIKey is WYBUTSSTZKJTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrIN2O2/c19-13-5-3-12(4-6-13)18(24)22-11-1-2-16(22)17(23)21-15-9-7-14(20)8-10-15/h3-10,16H,1-2,11H2,(H,21,23).
What are the key properties of 1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide?
1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide has a molecular weight of 499.15 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60612291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).