2-[[3-(dimethylamino)anilino]methyl]benzamide

C16H19N3O — CID 115377923

IUPAC2-[[3-(dimethylamino)anilino]methyl]benzamide
SMILESCN(C)c1cccc(NCc2ccccc2C(N)=O)c1
InChIInChI=1S/C16H19N3O/c1-19(2)14-8-5-7-13(10-14)18-11-12-6-3-4-9-15(12)16(17)20/h3-10,18H,11H2,1-2H3,(H2,17,20)
InChIKeyYNVBCPUASURPQH-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.46
Rot. Bonds5

About 2-[[3-(dimethylamino)anilino]methyl]benzamide

2-[[3-(dimethylamino)anilino]methyl]benzamide (PubChem CID 115377923) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)anilino]methyl]benzamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)anilino]methyl]benzamide
PubChem CID115377923
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[[3-(dimethylamino)anilino]methyl]benzamide
SMILESCN(C)c1cccc(NCc2ccccc2C(N)=O)c1
InChIInChI=1S/C16H19N3O/c1-19(2)14-8-5-7-13(10-14)18-11-12-6-3-4-9-15(12)16(17)20/h3-10,18H,11H2,1-2H3,(H2,17,20)
InChIKeyYNVBCPUASURPQH-UHFFFAOYSA-N
XLogP2.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913980
2-[(3,4,5-trifluoroanilino)methyl]benzamide
CID 62809921
1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913927
N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide
CID 75387090
2-[(4-chloroanilino)methyl]benzamide
CID 28580780
1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376553
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
1-N-[[4-(dimethylamino)phenyl]methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538778
[5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol
CID 113297533
2-amino-3-[3-(dimethylamino)anilino]propanoic acid
CID 103260466
2-[(4-butylanilino)methyl]benzamide
CID 43378453
2-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815579

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)anilino]methyl]benzamide?
The IUPAC name of 2-[[3-(dimethylamino)anilino]methyl]benzamide (CID 115377923) is 2-[[3-(dimethylamino)anilino]methyl]benzamide.
What is the SMILES notation for 2-[[3-(dimethylamino)anilino]methyl]benzamide?
The canonical SMILES for 2-[[3-(dimethylamino)anilino]methyl]benzamide is CN(C)c1cccc(NCc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[[3-(dimethylamino)anilino]methyl]benzamide?
The InChIKey is YNVBCPUASURPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(2)14-8-5-7-13(10-14)18-11-12-6-3-4-9-15(12)16(17)20/h3-10,18H,11H2,1-2H3,(H2,17,20).
What are the key properties of 2-[[3-(dimethylamino)anilino]methyl]benzamide?
2-[[3-(dimethylamino)anilino]methyl]benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)anilino]methyl]benzamide is sourced from PubChem (CID 115377923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).