2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide

C9H8ClN5O — CID 138426553

IUPAC2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide
SMILESO=C(CCl)N(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C9H8ClN5O/c10-6-8(16)15(9-11-13-14-12-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12,13,14)
InChIKeyHFWOQJKNTRNZTJ-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.10
Rot. Bonds3

About 2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide

2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide (PubChem CID 138426553) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide
PubChem CID138426553
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide
SMILESO=C(CCl)N(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C9H8ClN5O/c10-6-8(16)15(9-11-13-14-12-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12,13,14)
InChIKeyHFWOQJKNTRNZTJ-UHFFFAOYSA-N
XLogP1.10
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide
CID 70059360
2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
CID 82309091
2-chloro-N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-(2,6-dichlorophenyl)acetamide
CID 169436235
N-(fluoromethyl)-N-phenyl-2H-tetrazol-5-amine
CID 141001774
2-chloro-N-(4-nitrophenyl)-N-phenylacetamide
CID 10979160
3-chloro-N,N-diphenylpropanamide
CID 3331408
2-chloro-N-(hydroxymethyl)-N-phenylacetamide
CID 19762880
N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498051
methyl 2-[4-(N-(2-chloroacetyl)anilino)phenyl]acetate
CID 70059484
methyl 2-(N-(2-chloroacetyl)anilino)benzoate
CID 13170986
methyl 2-(N-(2-chloroacetyl)anilino)pyridine-3-carboxylate
CID 14677650
1,1-diphenylurea
CID 174849888

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide (CID 138426553) is 2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide is O=C(CCl)N(c1ccccc1)c1nn[nH]n1.
What is the InChIKey of 2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide?
The InChIKey is HFWOQJKNTRNZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c10-6-8(16)15(9-11-13-14-12-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12,13,14).
What are the key properties of 2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide?
2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide has a molecular weight of 237.65 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenyl-N-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 138426553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).