2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide

C11H12BrN5O — CID 62854275

IUPAC2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide
SMILESCCC(Br)C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H12BrN5O/c1-2-10(12)11(18)14-8-3-5-9(6-4-8)17-7-13-15-16-17/h3-7,10H,2H2,1H3,(H,14,18)
InChIKeyOZLAVKWDGMYTEY-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.77
Rot. Bonds4

About 2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide

2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide (PubChem CID 62854275) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is 2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide
PubChem CID62854275
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide
SMILESCCC(Br)C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H12BrN5O/c1-2-10(12)11(18)14-8-3-5-9(6-4-8)17-7-13-15-16-17/h3-7,10H,2H2,1H3,(H,14,18)
InChIKeyOZLAVKWDGMYTEY-UHFFFAOYSA-N
XLogP1.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 79022947
(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61259268
2,3-dimethyl-4-oxo-4-[4-(tetrazol-1-yl)anilino]but-2-enoic acid
CID 76991541
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719
2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 116677263
(2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 25340645
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide
CID 114014593
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid
CID 62964862

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide?
The IUPAC name of 2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide (CID 62854275) is 2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide.
What is the SMILES notation for 2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide?
The canonical SMILES for 2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide is CCC(Br)C(=O)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide?
The InChIKey is OZLAVKWDGMYTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c1-2-10(12)11(18)14-8-3-5-9(6-4-8)17-7-13-15-16-17/h3-7,10H,2H2,1H3,(H,14,18).
What are the key properties of 2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide?
2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide has a molecular weight of 310.16 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 62854275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).