4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide

C19H19BrN6O — CID 50777019

IUPAC4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1N1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C19H19BrN6O/c20-15-6-4-14(5-7-15)19(27)22-17-12-16(26-13-21-23-24-26)8-9-18(17)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11H2,(H,22,27)
InChIKeyNRAYQLMDJIYXNH-UHFFFAOYSA-N
MW427.31 g/mol
LogP3.67
Rot. Bonds4

About 4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide

4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 50777019) has the molecular formula C19H19BrN6O and a molecular weight of 427.31 g/mol. Its IUPAC name is 4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
PubChem CID50777019
Molecular FormulaC19H19BrN6O
Molecular Weight427.31 g/mol
Exact Mass426.08
IUPAC Name4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1N1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C19H19BrN6O/c20-15-6-4-14(5-7-15)19(27)22-17-12-16(26-13-21-23-24-26)8-9-18(17)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11H2,(H,22,27)
InChIKeyNRAYQLMDJIYXNH-UHFFFAOYSA-N
XLogP3.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776956
3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776801
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide
CID 50778527
4-methoxy-N-[2-morpholin-4-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776826
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 50776994
4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092341
2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
CID 50778531
3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide
CID 50777059
2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
CID 50777039
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide
CID 50881412
5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 24632177
N-[2-(piperidine-1-carbonyl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 35276684

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide (CID 50777019) is 4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide is O=C(Nc1cc(-n2cnnn2)ccc1N1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is NRAYQLMDJIYXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN6O/c20-15-6-4-14(5-7-15)19(27)22-17-12-16(26-13-21-23-24-26)8-9-18(17)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11H2,(H,22,27).
What are the key properties of 4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide?
4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 427.31 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 50777019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).