N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide

C11H12BrN5O — CID 8598069

IUPACN-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C11H12BrN5O/c1-8(18)13-6-7-17-15-11(14-16-17)9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3,(H,13,18)
InChIKeyPNDXSQCDSISFRT-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.24
Rot. Bonds4

About N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide

N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide (PubChem CID 8598069) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide
PubChem CID8598069
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC NameN-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C11H12BrN5O/c1-8(18)13-6-7-17-15-11(14-16-17)9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3,(H,13,18)
InChIKeyPNDXSQCDSISFRT-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide (CID 8598069) is N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide is CC(=O)NCCn1nnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide?
The InChIKey is PNDXSQCDSISFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c1-8(18)13-6-7-17-15-11(14-16-17)9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3,(H,13,18).
What are the key properties of N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide?
N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide has a molecular weight of 310.16 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 8598069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).