ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate

C12H12ClN5O3 — CID 7490658

IUPACethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)Cn1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN5O3/c1-2-21-12(20)14-10(19)7-18-16-11(15-17-18)8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3,(H,14,19,20)
InChIKeyGRPUHPNEXPSYCO-UHFFFAOYSA-N
MW309.71 g/mol
LogP1.27
Rot. Bonds4

About ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate

ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate (PubChem CID 7490658) has the molecular formula C12H12ClN5O3 and a molecular weight of 309.71 g/mol. Its IUPAC name is ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate
PubChem CID7490658
Molecular FormulaC12H12ClN5O3
Molecular Weight309.71 g/mol
Exact Mass309.06
IUPAC Nameethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)Cn1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN5O3/c1-2-21-12(20)14-10(19)7-18-16-11(15-17-18)8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3,(H,14,19,20)
InChIKeyGRPUHPNEXPSYCO-UHFFFAOYSA-N
XLogP1.27
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 51.27
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 N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490370
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7490582
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7490847
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9487356
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7490784
2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]prop-2-enoic acid
CID 144719815
ethyl 2-[5-[3-(bromomethyl)phenyl]tetrazol-2-yl]acetate
CID 139661345
2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(2,4-dimethylphenyl)ethanone
CID 7490677
N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164675
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 43033026
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713103

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate (CID 7490658) is ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate is CCOC(=O)NC(=O)Cn1nnc(-c2cccc(Cl)c2)n1.
What is the InChIKey of ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate?
The InChIKey is GRPUHPNEXPSYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O3/c1-2-21-12(20)14-10(19)7-18-16-11(15-17-18)8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3,(H,14,19,20).
What are the key properties of ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate?
ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate has a molecular weight of 309.71 g/mol, XLogP of 1.27, 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-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate is sourced from PubChem (CID 7490658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).