5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide

C12H14BrN5O — CID 114014593

IUPAC5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide
SMILESO=C(CCCCBr)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H14BrN5O/c13-8-2-1-3-12(19)15-10-4-6-11(7-5-10)18-9-14-16-17-18/h4-7,9H,1-3,8H2,(H,15,19)
InChIKeyVWHRQTIRFASJAR-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.17
Rot. Bonds6

About 5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide

5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide (PubChem CID 114014593) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide
PubChem CID114014593
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide
SMILESO=C(CCCCBr)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H14BrN5O/c13-8-2-1-3-12(19)15-10-4-6-11(7-5-10)18-9-14-16-17-18/h4-7,9H,1-3,8H2,(H,15,19)
InChIKeyVWHRQTIRFASJAR-UHFFFAOYSA-N
XLogP2.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719
3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 24555376
2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61261084
2-(cyclopropylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61260899
2-(4-bromophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 17011484
3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid
CID 62964862
2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243
2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 62854275
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733239

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide?
The IUPAC name of 5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide (CID 114014593) is 5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide is O=C(CCCCBr)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide?
The InChIKey is VWHRQTIRFASJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c13-8-2-1-3-12(19)15-10-4-6-11(7-5-10)18-9-14-16-17-18/h4-7,9H,1-3,8H2,(H,15,19).
What are the key properties of 5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide?
5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide has a molecular weight of 324.18 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide is sourced from PubChem (CID 114014593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).