4-(dimethylamino)benzamide

C9H12N2O — CID 596365

IUPAC4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C9H12N2O/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3,(H2,10,12)
InChIKeyNWIDZTRKSULSGB-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.85
Rot. Bonds2

About 4-(dimethylamino)benzamide

4-(dimethylamino)benzamide (PubChem CID 596365) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-(dimethylamino)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)benzamide
PubChem CID596365
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C9H12N2O/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3,(H2,10,12)
InChIKeyNWIDZTRKSULSGB-UHFFFAOYSA-N
XLogP0.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)benzamide?
The IUPAC name of 4-(dimethylamino)benzamide (CID 596365) is 4-(dimethylamino)benzamide.
What is the SMILES notation for 4-(dimethylamino)benzamide?
The canonical SMILES for 4-(dimethylamino)benzamide is CN(C)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(dimethylamino)benzamide?
The InChIKey is NWIDZTRKSULSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3,(H2,10,12).
What are the key properties of 4-(dimethylamino)benzamide?
4-(dimethylamino)benzamide has a molecular weight of 164.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)benzamide is sourced from PubChem (CID 596365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).