N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide

C13H16ClN5O — CID 7634924

IUPACN-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1nnc(-c2ccccc2Cl)n1
InChIInChI=1S/C13H16ClN5O/c1-3-9(2)15-12(20)8-19-17-13(16-18-19)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,20)/t9-/m0/s1
InChIKeyYCVKJEWJCWGZAX-VIFPVBQESA-N
MW293.76 g/mol
LogP1.91
Rot. Bonds5

About N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide

N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide (PubChem CID 7634924) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
PubChem CID7634924
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC NameN-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1nnc(-c2ccccc2Cl)n1
InChIInChI=1S/C13H16ClN5O/c1-3-9(2)15-12(20)8-19-17-13(16-18-19)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,20)/t9-/m0/s1
InChIKeyYCVKJEWJCWGZAX-VIFPVBQESA-N
XLogP1.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4810024
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 4804867
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8685781
2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149
N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide
CID 3188668
N-[(2R)-1-methoxypropan-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350175
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7634930
3-amino-5-[5-(2-chlorophenyl)tetrazol-2-yl]-4-oxopentanoic acid
CID 139722485
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2127162
ethyl 3-(2-chlorophenyl)-3-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]propanoate
CID 4976813
ethyl (3R)-3-(2-chlorophenyl)-3-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]propanoate
CID 42584056

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide (CID 7634924) is N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide is CC[C@H](C)NC(=O)Cn1nnc(-c2ccccc2Cl)n1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is YCVKJEWJCWGZAX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-3-9(2)15-12(20)8-19-17-13(16-18-19)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,20)/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 293.76 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7634924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).