3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide

C17H19F2N3O — CID 71967989

IUPAC3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(F)cc1F
InChIInChI=1S/C17H19F2N3O/c1-22(2)10-13-4-3-11(17(20)23)7-16(13)21-9-12-5-6-14(18)8-15(12)19/h3-8,21H,9-10H2,1-2H3,(H2,20,23)
InChIKeyZYOBVALCOKUPLR-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.74
Rot. Bonds6

About 3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide

3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide (PubChem CID 71967989) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide
PubChem CID71967989
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(F)cc1F
InChIInChI=1S/C17H19F2N3O/c1-22(2)10-13-4-3-11(17(20)23)7-16(13)21-9-12-5-6-14(18)8-15(12)19/h3-8,21H,9-10H2,1-2H3,(H2,20,23)
InChIKeyZYOBVALCOKUPLR-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide
CID 63356572
3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735711
4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide
CID 167902428
4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide
CID 114480113
4-[(5-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28562952
4-[[3-(dimethylamino)propylamino]methyl]-3-fluorobenzamide
CID 28583705
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 56806765
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612
4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28572208
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide
CID 167839946

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide?
The IUPAC name of 3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide (CID 71967989) is 3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide?
The canonical SMILES for 3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide is CN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide?
The InChIKey is ZYOBVALCOKUPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-22(2)10-13-4-3-11(17(20)23)7-16(13)21-9-12-5-6-14(18)8-15(12)19/h3-8,21H,9-10H2,1-2H3,(H2,20,23).
What are the key properties of 3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide?
3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide has a molecular weight of 319.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide is sourced from PubChem (CID 71967989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).