N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide

C13H16N6O2 — CID 60533950

IUPACN-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)Cn2cnnn2)cc1
InChIInChI=1S/C13H16N6O2/c1-9(2)15-13(21)10-3-5-11(6-4-10)16-12(20)7-19-8-14-17-18-19/h3-6,8-9H,7H2,1-2H3,(H,15,21)(H,16,20)
InChIKeyUFTSCFSUMDSEOY-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.45
Rot. Bonds5

About N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide

N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide (PubChem CID 60533950) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide
PubChem CID60533950
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)Cn2cnnn2)cc1
InChIInChI=1S/C13H16N6O2/c1-9(2)15-13(21)10-3-5-11(6-4-10)16-12(20)7-19-8-14-17-18-19/h3-6,8-9H,7H2,1-2H3,(H,15,21)(H,16,20)
InChIKeyUFTSCFSUMDSEOY-UHFFFAOYSA-N
XLogP0.45
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate
CID 17404193
4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 60537913
N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
CID 78776629
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
N-[(2R)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide
CID 94197438
N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide
CID 94197439
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
CID 16640627
N-(3-hydroxy-4-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 64795132
3-[4-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]propanoic acid
CID 81369358
N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide
CID 126779440
N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 8778733

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide (CID 60533950) is N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide is CC(C)NC(=O)c1ccc(NC(=O)Cn2cnnn2)cc1.
What is the InChIKey of N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide?
The InChIKey is UFTSCFSUMDSEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-9(2)15-13(21)10-3-5-11(6-4-10)16-12(20)7-19-8-14-17-18-19/h3-6,8-9H,7H2,1-2H3,(H,15,21)(H,16,20).
What are the key properties of N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide?
N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide has a molecular weight of 288.31 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 60533950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).