3-[4-(dimethylamino)anilino]benzamide;formic acid

C16H19N3O3 — CID 166598868

IUPAC3-[4-(dimethylamino)anilino]benzamide;formic acid
SMILESCN(C)c1ccc(Nc2cccc(C(N)=O)c2)cc1.O=CO
InChIInChI=1S/C15H17N3O.CH2O2/c1-18(2)14-8-6-12(7-9-14)17-13-5-3-4-11(10-13)15(16)19;2-1-3/h3-10,17H,1-2H3,(H2,16,19);1H,(H,2,3)
InChIKeyKWNBSLMWTNHUPI-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.30
Rot. Bonds4

About 3-[4-(dimethylamino)anilino]benzamide;formic acid

3-[4-(dimethylamino)anilino]benzamide;formic acid (PubChem CID 166598868) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[4-(dimethylamino)anilino]benzamide;formic acid.

Molecular Properties

Compound Name3-[4-(dimethylamino)anilino]benzamide;formic acid
PubChem CID166598868
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[4-(dimethylamino)anilino]benzamide;formic acid
SMILESCN(C)c1ccc(Nc2cccc(C(N)=O)c2)cc1.O=CO
InChIInChI=1S/C15H17N3O.CH2O2/c1-18(2)14-8-6-12(7-9-14)17-13-5-3-4-11(10-13)15(16)19;2-1-3/h3-10,17H,1-2H3,(H2,16,19);1H,(H,2,3)
InChIKeyKWNBSLMWTNHUPI-UHFFFAOYSA-N
XLogP2.30
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide
CID 78776448
3-(methylamino)benzamide
CID 18727714
[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
CID 11738595
ethane;3-(methylamino)benzamide
CID 142071023
1-[4-[4-(dimethylamino)anilino]phenyl]ethanone
CID 82536662
3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate
CID 7065216
2-amino-3-[4-(dimethylamino)anilino]benzamide
CID 115544938
methyl 3-[[3-[4-(dimethylamino)anilino]-1,2,4-triazin-5-yl]amino]benzoate
CID 112968667
1-[3-(4-aminoanilino)phenyl]ethanone
CID 82287829
1-[2-amino-5-[4-(dimethylamino)anilino]phenyl]ethanone
CID 104612418
3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide
CID 163313079
3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide
CID 157018298

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)anilino]benzamide;formic acid?
The IUPAC name of 3-[4-(dimethylamino)anilino]benzamide;formic acid (CID 166598868) is 3-[4-(dimethylamino)anilino]benzamide;formic acid.
What is the SMILES notation for 3-[4-(dimethylamino)anilino]benzamide;formic acid?
The canonical SMILES for 3-[4-(dimethylamino)anilino]benzamide;formic acid is CN(C)c1ccc(Nc2cccc(C(N)=O)c2)cc1.O=CO.
What is the InChIKey of 3-[4-(dimethylamino)anilino]benzamide;formic acid?
The InChIKey is KWNBSLMWTNHUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.CH2O2/c1-18(2)14-8-6-12(7-9-14)17-13-5-3-4-11(10-13)15(16)19;2-1-3/h3-10,17H,1-2H3,(H2,16,19);1H,(H,2,3).
What are the key properties of 3-[4-(dimethylamino)anilino]benzamide;formic acid?
3-[4-(dimethylamino)anilino]benzamide;formic acid has a molecular weight of 301.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)anilino]benzamide;formic acid is sourced from PubChem (CID 166598868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).