N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide

C18H18N6O2 — CID 78773489

IUPACN-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1
InChIInChI=1S/C18H18N6O2/c1-12(2)17(25)20-13-7-9-14(10-8-13)21-18(26)15-5-3-4-6-16(15)24-11-19-22-23-24/h3-12H,1-2H3,(H,20,25)(H,21,26)
InChIKeyWNDPMLXYASMORU-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.51
Rot. Bonds5

About N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide

N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 78773489) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide
PubChem CID78773489
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1
InChIInChI=1S/C18H18N6O2/c1-12(2)17(25)20-13-7-9-14(10-8-13)21-18(26)15-5-3-4-6-16(15)24-11-19-22-23-24/h3-12H,1-2H3,(H,20,25)(H,21,26)
InChIKeyWNDPMLXYASMORU-UHFFFAOYSA-N
XLogP2.51
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)benzoate
CID 42899893
4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
CID 42571537
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
N-(1-methylpyrazol-3-yl)-2-(tetrazol-1-yl)benzamide
CID 51278223
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
N-dibenzofuran-3-yl-2-(tetrazol-1-yl)benzamide
CID 60553387
N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 46642572
4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide
CID 42568845
2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide
CID 55673413
N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide
CID 42571314
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 78773494

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide (CID 78773489) is N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide is CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1.
What is the InChIKey of N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is WNDPMLXYASMORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-12(2)17(25)20-13-7-9-14(10-8-13)21-18(26)15-5-3-4-6-16(15)24-11-19-22-23-24/h3-12H,1-2H3,(H,20,25)(H,21,26).
What are the key properties of N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide?
N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 350.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 78773489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).