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

C17H18N6O — CID 39192608

IUPACN-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
SMILESCN(C)c1ccc(CNC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C17H18N6O/c1-22(2)15-8-6-13(7-9-15)11-18-17(24)14-4-3-5-16(10-14)23-12-19-20-21-23/h3-10,12H,11H2,1-2H3,(H,18,24)
InChIKeyDQKNBKGTMONDIR-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.66
Rot. Bonds5

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

N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 39192608) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
PubChem CID39192608
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
SMILESCN(C)c1ccc(CNC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C17H18N6O/c1-22(2)15-8-6-13(7-9-15)11-18-17(24)14-4-3-5-16(10-14)23-12-19-20-21-23/h3-10,12H,11H2,1-2H3,(H,18,24)
InChIKeyDQKNBKGTMONDIR-UHFFFAOYSA-N
XLogP1.66
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 26911241
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 55642801
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 90569406
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane
CID 91351854
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 46460818

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide (CID 39192608) is N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide is CN(C)c1ccc(CNC(=O)c2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is DQKNBKGTMONDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-22(2)15-8-6-13(7-9-15)11-18-17(24)14-4-3-5-16(10-14)23-12-19-20-21-23/h3-10,12H,11H2,1-2H3,(H,18,24).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide?
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 322.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 39192608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).