2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide

C11H12ClN5O2 — CID 166178541

IUPAC2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCCc1nn[nH]n1
InChIInChI=1S/C11H12ClN5O2/c12-8-3-1-2-4-9(8)19-7-11(18)13-6-5-10-14-16-17-15-10/h1-4H,5-7H2,(H,13,18)(H,14,15,16,17)
InChIKeyWPSXZZMBFGHGKY-UHFFFAOYSA-N
MW281.70 g/mol
LogP0.59
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide

2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide (PubChem CID 166178541) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide
PubChem CID166178541
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC Name2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCCc1nn[nH]n1
InChIInChI=1S/C11H12ClN5O2/c12-8-3-1-2-4-9(8)19-7-11(18)13-6-5-10-14-16-17-15-10/h1-4H,5-7H2,(H,13,18)(H,14,15,16,17)
InChIKeyWPSXZZMBFGHGKY-UHFFFAOYSA-N
XLogP0.59
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
CID 43239206
2-(2-chlorophenoxy)-N-[2-(furan-2-yl)ethyl]acetamide
CID 18111286
2-(2-chlorophenoxy)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60654382
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9011744
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 2561230
methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate
CID 43404773
2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 59018346
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 46423192

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide (CID 166178541) is 2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide is O=C(COc1ccccc1Cl)NCCc1nn[nH]n1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide?
The InChIKey is WPSXZZMBFGHGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c12-8-3-1-2-4-9(8)19-7-11(18)13-6-5-10-14-16-17-15-10/h1-4H,5-7H2,(H,13,18)(H,14,15,16,17).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide?
2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide has a molecular weight of 281.70 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(2H-tetrazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 166178541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).