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

C12H12BrN5O3 — CID 7490370

IUPACethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C12H12BrN5O3/c1-2-21-12(20)14-10(19)7-18-16-11(15-17-18)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,19,20)
InChIKeyRTIDEIRQKTZHRW-UHFFFAOYSA-N
MW354.16 g/mol
LogP1.38
Rot. Bonds4

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

ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate (PubChem CID 7490370) has the molecular formula C12H12BrN5O3 and a molecular weight of 354.16 g/mol. Its IUPAC name is ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate
PubChem CID7490370
Molecular FormulaC12H12BrN5O3
Molecular Weight354.16 g/mol
Exact Mass353.01
IUPAC Nameethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C12H12BrN5O3/c1-2-21-12(20)14-10(19)7-18-16-11(15-17-18)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,19,20)
InChIKeyRTIDEIRQKTZHRW-UHFFFAOYSA-N
XLogP1.38
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.16
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
CID 7713038
ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate
CID 36610131
ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490658
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 7589146
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7589128
(2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide
CID 8598093
N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465644
ethyl 4-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1266768
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8598098
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide
CID 7589262
N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
CID 3171708
3-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylbenzamide
CID 26625766

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate (CID 7490370) is ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate is CCOC(=O)NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate?
The InChIKey is RTIDEIRQKTZHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5O3/c1-2-21-12(20)14-10(19)7-18-16-11(15-17-18)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,19,20).
What are the key properties of ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate?
ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate has a molecular weight of 354.16 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate is sourced from PubChem (CID 7490370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).