1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide

C18H17BrN2O2 — CID 3144332

IUPAC1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCCN1C(=O)c1ccccc1Br
InChIInChI=1S/C18H17BrN2O2/c19-15-10-5-4-9-14(15)16(22)21-12-6-11-18(21,17(20)23)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H2,20,23)
InChIKeyCMYYHKKZCOCYBL-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.07
Rot. Bonds3

About 1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide

1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide (PubChem CID 3144332) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide
PubChem CID3144332
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCCN1C(=O)c1ccccc1Br
InChIInChI=1S/C18H17BrN2O2/c19-15-10-5-4-9-14(15)16(22)21-12-6-11-18(21,17(20)23)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H2,20,23)
InChIKeyCMYYHKKZCOCYBL-UHFFFAOYSA-N
XLogP3.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide (CID 3144332) is 1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide is NC(=O)C1(c2ccccc2)CCCN1C(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide?
The InChIKey is CMYYHKKZCOCYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c19-15-10-5-4-9-14(15)16(22)21-12-6-11-18(21,17(20)23)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H2,20,23).
What are the key properties of 1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide?
1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 3144332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).