N-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide

C17H15BrN2O2 — CID 24979720

IUPACN-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccccc1Br)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H15BrN2O2/c18-14-4-1-2-5-15(14)19-17(22)12-7-9-13(10-8-12)20-11-3-6-16(20)21/h1-2,4-5,7-10H,3,6,11H2,(H,19,22)
InChIKeyDHVQGIUAHXCQFS-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.83
Rot. Bonds3

About N-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 24979720) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID24979720
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccccc1Br)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H15BrN2O2/c18-14-4-1-2-5-15(14)19-17(22)12-7-9-13(10-8-12)20-11-3-6-16(20)21/h1-2,4-5,7-10H,3,6,11H2,(H,19,22)
InChIKeyDHVQGIUAHXCQFS-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2462605
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CID 2971289
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3-(2-Oxo-pyrrolidin-1-yl)-N-phenyl-benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 24979720) is N-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1ccccc1Br)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is DHVQGIUAHXCQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c18-14-4-1-2-5-15(14)19-17(22)12-7-9-13(10-8-12)20-11-3-6-16(20)21/h1-2,4-5,7-10H,3,6,11H2,(H,19,22).
What are the key properties of N-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 359.22 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 24979720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).