2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide

C9H8ClN5O — CID 156907217

IUPAC2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1nn[nH]n1
InChIInChI=1S/C9H8ClN5O/c10-7-3-1-2-6(4-7)5-8(16)11-9-12-14-15-13-9/h1-4H,5H2,(H2,11,12,13,14,15,16)
InChIKeyHFAVJGNWJPFAGR-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.03
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide

2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide (PubChem CID 156907217) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide
PubChem CID156907217
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1nn[nH]n1
InChIInChI=1S/C9H8ClN5O/c10-7-3-1-2-6(4-7)5-8(16)11-9-12-14-15-13-9/h1-4H,5H2,(H2,11,12,13,14,15,16)
InChIKeyHFAVJGNWJPFAGR-UHFFFAOYSA-N
XLogP1.03
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(2-ethyl-2H-tetrazol-5-yl)acetamide
CID 965762
3-phenyl-N-(1H-tetrazol-5-yl)propanamide
CID 887745
2-(4-chlorophenyl)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 718901
3-Chloro-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 956334
N-(2-butyl-2H-tetrazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 2219051
rac-2-(4-chlorophenyl)-3-methyl-N-(1H-tetrazol-5-yl)butanamide
CID 46226177
2-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 90670675
2-(4-chlorophenyl)-N-(1H-tetrazol-5-yl)acetamide
CID 4450068
2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 71932306
2-(4-chlorophenyl)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 936004
3-chloro-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 938491
2-chloro-N-(1H-tetrazol-5-yl)benzamide
CID 680613

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide (CID 156907217) is 2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide is O=C(Cc1cccc(Cl)c1)Nc1nn[nH]n1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide?
The InChIKey is HFAVJGNWJPFAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c10-7-3-1-2-6(4-7)5-8(16)11-9-12-14-15-13-9/h1-4H,5H2,(H2,11,12,13,14,15,16).
What are the key properties of 2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide?
2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide has a molecular weight of 237.65 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 156907217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).