3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

C17H18N6O — CID 56851707

IUPAC3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESCN(C)Cc1cccc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C17H18N6O/c1-23(2)11-12-5-3-7-14(9-12)17(24)18-15-8-4-6-13(10-15)16-19-21-22-20-16/h3-10H,11H2,1-2H3,(H,18,24)(H,19,20,21,22)
InChIKeyYNFKRUNLXWQDEZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.18
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 56851707) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID56851707
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESCN(C)Cc1cccc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C17H18N6O/c1-23(2)11-12-5-3-7-14(9-12)17(24)18-15-8-4-6-13(10-15)16-19-21-22-20-16/h3-10H,11H2,1-2H3,(H,18,24)(H,19,20,21,22)
InChIKeyYNFKRUNLXWQDEZ-UHFFFAOYSA-N
XLogP2.18
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (CID 56851707) is 3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is CN(C)Cc1cccc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is YNFKRUNLXWQDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-23(2)11-12-5-3-7-14(9-12)17(24)18-15-8-4-6-13(10-15)16-19-21-22-20-16/h3-10H,11H2,1-2H3,(H,18,24)(H,19,20,21,22).
What are the key properties of 3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 56851707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).