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

C13H16ClN5O — CID 2219051

IUPACN-(2-butyltetrazol-5-yl)-2-(4-chlorophenyl)acetamide
SMILESCCCCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H16ClN5O/c1-2-3-8-19-17-13(16-18-19)15-12(20)9-10-4-6-11(14)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,15,17,20)
InChIKeyOITFOAUPIBEFOD-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.31
Rot. Bonds6

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

N-(2-butyltetrazol-5-yl)-2-(4-chlorophenyl)acetamide (PubChem CID 2219051) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is N-(2-butyltetrazol-5-yl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-butyltetrazol-5-yl)-2-(4-chlorophenyl)acetamide
PubChem CID2219051
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC NameN-(2-butyltetrazol-5-yl)-2-(4-chlorophenyl)acetamide
SMILESCCCCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H16ClN5O/c1-2-3-8-19-17-13(16-18-19)15-12(20)9-10-4-6-11(14)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,15,17,20)
InChIKeyOITFOAUPIBEFOD-UHFFFAOYSA-N
XLogP2.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyltetrazol-5-yl)-2,2-diphenylacetamide
CID 965740
2-(4-chlorophenyl)-N-(2-ethyl-2H-tetrazol-5-yl)acetamide
CID 965762
2-phenyl-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]acetamide
CID 1395238
2-chloro-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893153
2,2-diphenyl-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893784
2,4-Dichloro-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649694
N-(2-butyl-2H-tetrazol-5-yl)-2,2-diphenylacetamide
CID 2219050
2-(4-chlorophenyl)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 718901
2-phenyl-N-(2-propyltetrazol-5-yl)acetamide
CID 893243
3-Chloro-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 956334
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 N-(2-butyltetrazol-5-yl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(2-butyltetrazol-5-yl)-2-(4-chlorophenyl)acetamide (CID 2219051) is N-(2-butyltetrazol-5-yl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(2-butyltetrazol-5-yl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(2-butyltetrazol-5-yl)-2-(4-chlorophenyl)acetamide is CCCCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(2-butyltetrazol-5-yl)-2-(4-chlorophenyl)acetamide?
The InChIKey is OITFOAUPIBEFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-2-3-8-19-17-13(16-18-19)15-12(20)9-10-4-6-11(14)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,15,17,20).
What are the key properties of N-(2-butyltetrazol-5-yl)-2-(4-chlorophenyl)acetamide?
N-(2-butyltetrazol-5-yl)-2-(4-chlorophenyl)acetamide has a molecular weight of 293.76 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyltetrazol-5-yl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 2219051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).