2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide

C10H10ClN5O — CID 936004

IUPAC2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide
SMILESCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H10ClN5O/c1-16-14-10(13-15-16)12-9(17)6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14,17)
InChIKeyQCRVKSNZCDTQIN-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.04
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide

2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide (PubChem CID 936004) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide
PubChem CID936004
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide
SMILESCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H10ClN5O/c1-16-14-10(13-15-16)12-9(17)6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14,17)
InChIKeyQCRVKSNZCDTQIN-UHFFFAOYSA-N
XLogP1.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-(2-ethyl-2H-tetrazol-5-yl)acetamide
CID 965762
2-chloro-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893153
N-(2-methyltetrazol-5-yl)-2,2-diphenylacetamide
CID 662625
2,4-Dichloro-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649694
2-(4-chlorophenyl)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 718901
2-phenyl-N-(2-propyltetrazol-5-yl)acetamide
CID 893243
N-{[(2-methyl-2H-tetrazol-5-yl)amino]carbonothioyl}-2-phenylacetamide
CID 953410
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
2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 903149
JAN-GHE-5a013bed-11
CID 156907217
(S)-2-(4-chlorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 29369661

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide (CID 936004) is 2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide is Cn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide?
The InChIKey is QCRVKSNZCDTQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-16-14-10(13-15-16)12-9(17)6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14,17).
What are the key properties of 2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide?
2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide has a molecular weight of 251.68 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 936004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).