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

C9H8ClN5O — CID 110499380

IUPACN-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1ccccc1Cl
InChIInChI=1S/C9H8ClN5O/c10-6-3-1-2-4-7(6)11-9(16)5-8-12-14-15-13-8/h1-4H,5H2,(H,11,16)(H,12,13,14,15)
InChIKeyVINJZVDQODMHKO-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.03
Rot. Bonds3

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

N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110499380) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110499380
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC NameN-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1ccccc1Cl
InChIInChI=1S/C9H8ClN5O/c10-6-3-1-2-4-7(6)11-9(16)5-8-12-14-15-13-8/h1-4H,5H2,(H,11,16)(H,12,13,14,15)
InChIKeyVINJZVDQODMHKO-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

N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499452
N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499519
2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide
CID 63590322
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499410
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439
N-(2-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 25299245
methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate
CID 110499554
N-(2-chlorophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110858749
2-amino-N-(2-chlorophenyl)acetamide;hydrochloride
CID 51051964
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110499380) is N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is VINJZVDQODMHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c10-6-3-1-2-4-7(6)11-9(16)5-8-12-14-15-13-8/h1-4H,5H2,(H,11,16)(H,12,13,14,15).
What are the key properties of N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(2-chlorophenyl)-2-(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 N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110499380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).