2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide

C16H14ClN5O — CID 4810015

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1nnc(-c2ccccc2Cl)n1)c1ccccc1
InChIInChI=1S/C16H14ClN5O/c1-21(12-7-3-2-4-8-12)15(23)11-22-19-16(18-20-22)13-9-5-6-10-14(13)17/h2-10H,11H2,1H3
InChIKeyXAMBZGZFERFPNE-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.66
Rot. Bonds4

About 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide (PubChem CID 4810015) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
PubChem CID4810015
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1nnc(-c2ccccc2Cl)n1)c1ccccc1
InChIInChI=1S/C16H14ClN5O/c1-21(12-7-3-2-4-8-12)15(23)11-22-19-16(18-20-22)13-9-5-6-10-14(13)17/h2-10H,11H2,1H3
InChIKeyXAMBZGZFERFPNE-UHFFFAOYSA-N
XLogP2.66
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149
N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7350370
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 26676736
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7634933
N-ethyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 7634888
3-amino-5-[5-(2-chlorophenyl)tetrazol-2-yl]-4-oxopentanoic acid
CID 139722485
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 4808472
N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634924
2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 7350524
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7350531

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide (CID 4810015) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide is CN(C(=O)Cn1nnc(-c2ccccc2Cl)n1)c1ccccc1.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide?
The InChIKey is XAMBZGZFERFPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-21(12-7-3-2-4-8-12)15(23)11-22-19-16(18-20-22)13-9-5-6-10-14(13)17/h2-10H,11H2,1H3.
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide has a molecular weight of 327.78 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 4810015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).