4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide

C16H14ClN5O2 — CID 8996432

IUPAC4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnn(CCOc3ccccc3Cl)n2)cc1
InChIInChI=1S/C16H14ClN5O2/c17-13-3-1-2-4-14(13)24-10-9-22-20-16(19-21-22)12-7-5-11(6-8-12)15(18)23/h1-8H,9-10H2,(H2,18,23)
InChIKeyZVDJKYARKUYNSO-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.17
Rot. Bonds6

About 4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide

4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide (PubChem CID 8996432) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide
PubChem CID8996432
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnn(CCOc3ccccc3Cl)n2)cc1
InChIInChI=1S/C16H14ClN5O2/c17-13-3-1-2-4-14(13)24-10-9-22-20-16(19-21-22)12-7-5-11(6-8-12)15(18)23/h1-8H,9-10H2,(H2,18,23)
InChIKeyZVDJKYARKUYNSO-UHFFFAOYSA-N
XLogP2.17
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide
CID 8996445
4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide
CID 56684959
4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 24654123
5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole
CID 52615802
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate
CID 55841019
4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 99704636
1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 62581074
4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
CID 552573
2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole
CID 2526533
1-[2-(2-chlorophenoxy)ethyl]-5-propan-2-yltriazole-4-carboxylic acid
CID 62061098
4-O-(2-chlorophenyl) 1-O-ethyl benzene-1,4-dicarboxylate
CID 22994694

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide?
The IUPAC name of 4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide (CID 8996432) is 4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide is NC(=O)c1ccc(-c2nnn(CCOc3ccccc3Cl)n2)cc1.
What is the InChIKey of 4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide?
The InChIKey is ZVDJKYARKUYNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c17-13-3-1-2-4-14(13)24-10-9-22-20-16(19-21-22)12-7-5-11(6-8-12)15(18)23/h1-8H,9-10H2,(H2,18,23).
What are the key properties of 4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide?
4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide has a molecular weight of 343.77 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 8996432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).