methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate

C11H10ClN5O3 — CID 42570048

IUPACmethyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(Cl)cc1-n1cnnn1
InChIInChI=1S/C11H10ClN5O3/c1-20-10(18)5-13-11(19)8-3-2-7(12)4-9(8)17-6-14-15-16-17/h2-4,6H,5H2,1H3,(H,13,19)
InChIKeyODKIVBKAJMGLLS-UHFFFAOYSA-N
MW295.69 g/mol
LogP0.22
Rot. Bonds4

About methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate

methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate (PubChem CID 42570048) has the molecular formula C11H10ClN5O3 and a molecular weight of 295.69 g/mol. Its IUPAC name is methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
PubChem CID42570048
Molecular FormulaC11H10ClN5O3
Molecular Weight295.69 g/mol
Exact Mass295.05
IUPAC Namemethyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(Cl)cc1-n1cnnn1
InChIInChI=1S/C11H10ClN5O3/c1-20-10(18)5-13-11(19)8-3-2-7(12)4-9(8)17-6-14-15-16-17/h2-4,6H,5H2,1H3,(H,13,19)
InChIKeyODKIVBKAJMGLLS-UHFFFAOYSA-N
XLogP0.22
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117
methyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate
CID 52902961
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate
CID 29139683
ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582252
4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
CID 42571537
N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide
CID 42571314
4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 52901800
4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 75490916
4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 56761342
(2S)-2-[[2-[[5-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694899
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate (CID 42570048) is methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(Cl)cc1-n1cnnn1.
What is the InChIKey of methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate?
The InChIKey is ODKIVBKAJMGLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O3/c1-20-10(18)5-13-11(19)8-3-2-7(12)4-9(8)17-6-14-15-16-17/h2-4,6H,5H2,1H3,(H,13,19).
What are the key properties of methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate?
methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate has a molecular weight of 295.69 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate is sourced from PubChem (CID 42570048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).