2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide

C12H14ClN5O — CID 46226177

IUPAC2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide
SMILESCC(C)C(C(=O)Nc1nn[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN5O/c1-7(2)10(8-3-5-9(13)6-4-8)11(19)14-12-15-17-18-16-12/h3-7,10H,1-2H3,(H2,14,15,16,17,18,19)
InChIKeyQAVIGHTYVNDIPK-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.23
Rot. Bonds4

About 2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide

2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide (PubChem CID 46226177) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide
PubChem CID46226177
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide
SMILESCC(C)C(C(=O)Nc1nn[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN5O/c1-7(2)10(8-3-5-9(13)6-4-8)11(19)14-12-15-17-18-16-12/h3-7,10H,1-2H3,(H2,14,15,16,17,18,19)
InChIKeyQAVIGHTYVNDIPK-UHFFFAOYSA-N
XLogP2.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide?
The IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide (CID 46226177) is 2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide is CC(C)C(C(=O)Nc1nn[nH]n1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide?
The InChIKey is QAVIGHTYVNDIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-7(2)10(8-3-5-9(13)6-4-8)11(19)14-12-15-17-18-16-12/h3-7,10H,1-2H3,(H2,14,15,16,17,18,19).
What are the key properties of 2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide?
2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide has a molecular weight of 279.73 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide is sourced from PubChem (CID 46226177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).