2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide

C15H17BrN6O2 — CID 71791701

IUPAC2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1nnn(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H17BrN6O2/c16-11-4-6-12(7-5-11)22-19-14(18-20-22)15(24)17-8-2-10-21-9-1-3-13(21)23/h4-7H,1-3,8-10H2,(H,17,24)
InChIKeyKXISXHMSBNWROS-UHFFFAOYSA-N
MW393.25 g/mol
LogP1.17
Rot. Bonds6

About 2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide

2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide (PubChem CID 71791701) has the molecular formula C15H17BrN6O2 and a molecular weight of 393.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide
PubChem CID71791701
Molecular FormulaC15H17BrN6O2
Molecular Weight393.25 g/mol
Exact Mass392.06
IUPAC Name2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1nnn(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H17BrN6O2/c16-11-4-6-12(7-5-11)22-19-14(18-20-22)15(24)17-8-2-10-21-9-1-3-13(21)23/h4-7H,1-3,8-10H2,(H,17,24)
InChIKeyKXISXHMSBNWROS-UHFFFAOYSA-N
XLogP1.17
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide
CID 71791436
5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 2532950
6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90094755
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 68572763
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 39515430
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide (CID 71791701) is 2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide is O=C(NCCCN1CCCC1=O)c1nnn(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide?
The InChIKey is KXISXHMSBNWROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN6O2/c16-11-4-6-12(7-5-11)22-19-14(18-20-22)15(24)17-8-2-10-21-9-1-3-13(21)23/h4-7H,1-3,8-10H2,(H,17,24).
What are the key properties of 2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide?
2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide has a molecular weight of 393.25 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide is sourced from PubChem (CID 71791701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).