N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide

C18H20N6O — CID 22110521

IUPACN-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C18H20N6O/c1-3-23(4-2)16-10-8-15(9-11-16)20-18(25)14-6-5-7-17(12-14)24-13-19-21-22-24/h5-13H,3-4H2,1-2H3,(H,20,25)
InChIKeyMHUUJWGUWSURJN-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.76
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide

N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 22110521) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
PubChem CID22110521
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C18H20N6O/c1-3-23(4-2)16-10-8-15(9-11-16)20-18(25)14-6-5-7-17(12-14)24-13-19-21-22-24/h5-13H,3-4H2,1-2H3,(H,20,25)
InChIKeyMHUUJWGUWSURJN-UHFFFAOYSA-N
XLogP2.76
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide
CID 55930735
N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122302044
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18158615
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
CID 862147
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide
CID 55982018
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide
CID 122296448
N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide
CID 46436898
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide (CID 22110521) is N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide is CCN(CC)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is MHUUJWGUWSURJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-3-23(4-2)16-10-8-15(9-11-16)20-18(25)14-6-5-7-17(12-14)24-13-19-21-22-24/h5-13H,3-4H2,1-2H3,(H,20,25).
What are the key properties of N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide?
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 22110521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).