N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide

C12H14BrN5O2 — CID 146106127

IUPACN-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide
SMILESCOC(C)CC(=O)Nc1cc(Br)ccc1-c1nn[nH]n1
InChIInChI=1S/C12H14BrN5O2/c1-7(20-2)5-11(19)14-10-6-8(13)3-4-9(10)12-15-17-18-16-12/h3-4,6-7H,5H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeyADXONGXNFSJINL-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.99
Rot. Bonds5

About N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide

N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide (PubChem CID 146106127) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide.

Molecular Properties

Compound NameN-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide
PubChem CID146106127
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC NameN-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide
SMILESCOC(C)CC(=O)Nc1cc(Br)ccc1-c1nn[nH]n1
InChIInChI=1S/C12H14BrN5O2/c1-7(20-2)5-11(19)14-10-6-8(13)3-4-9(10)12-15-17-18-16-12/h3-4,6-7H,5H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeyADXONGXNFSJINL-UHFFFAOYSA-N
XLogP1.99
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide 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

N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
N-(2-acetamido-5-bromophenyl)-4-methoxypentanamide
CID 86786988
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide
CID 126830344
tert-butyl N-[(2R)-1-[4-bromo-5-methoxy-2-(2H-tetrazol-5-yl)anilino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 131748015
3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 110720173
5-(5-bromo-2-methoxyanilino)-3-methyl-5-oxopentanoic acid
CID 62964590
1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 10407640
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide
CID 67552245
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N-(4-bromo-2-iodophenyl)-3-methylbutanamide
CID 4008135
2-amino-4-(5-bromo-2-methoxyanilino)-4-oxobutanoic acid
CID 115180932

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide?
The IUPAC name of N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide (CID 146106127) is N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide.
What is the SMILES notation for N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide?
The canonical SMILES for N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide is COC(C)CC(=O)Nc1cc(Br)ccc1-c1nn[nH]n1.
What is the InChIKey of N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide?
The InChIKey is ADXONGXNFSJINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c1-7(20-2)5-11(19)14-10-6-8(13)3-4-9(10)12-15-17-18-16-12/h3-4,6-7H,5H2,1-2H3,(H,14,19)(H,15,16,17,18).
What are the key properties of N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide?
N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide has a molecular weight of 340.18 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-methoxybutanamide is sourced from PubChem (CID 146106127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).