1-(4-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide

C18H17BrN2O2 — CID 2886040

IUPAC1-(4-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O2/c19-15-9-7-13(8-10-15)16(22)21-12-4-11-18(21,17(20)23)14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2,(H2,20,23)
InChIKeyJJLAZNAPCAQLRG-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.07
Rot. Bonds3

About 1-(4-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide

1-(4-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide (PubChem CID 2886040) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide
PubChem CID2886040
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name1-(4-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O2/c19-15-9-7-13(8-10-15)16(22)21-12-4-11-18(21,17(20)23)14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2,(H2,20,23)
InChIKeyJJLAZNAPCAQLRG-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-(4-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide (CID 2886040) is 1-(4-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide is NC(=O)C1(c2ccccc2)CCCN1C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide?
The InChIKey is JJLAZNAPCAQLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c19-15-9-7-13(8-10-15)16(22)21-12-4-11-18(21,17(20)23)14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2,(H2,20,23).
What are the key properties of 1-(4-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide?
1-(4-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-(4-bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2886040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).