5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide

C16H17F2N3O2 — CID 91683152

IUPAC5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C16H17F2N3O2/c1-21(2)13-8-7-10(19)9-11(13)15(22)20-12-5-3-4-6-14(12)23-16(17)18/h3-9,16H,19H2,1-2H3,(H,20,22)
InChIKeyMEOOYHAKAKSCKG-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.19
Rot. Bonds5

About 5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide

5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide (PubChem CID 91683152) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide.

Molecular Properties

Compound Name5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide
PubChem CID91683152
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C16H17F2N3O2/c1-21(2)13-8-7-10(19)9-11(13)15(22)20-12-5-3-4-6-14(12)23-16(17)18/h3-9,16H,19H2,1-2H3,(H,20,22)
InChIKeyMEOOYHAKAKSCKG-UHFFFAOYSA-N
XLogP3.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide
CID 61290396
5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 91683062
5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide
CID 61095146
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
CID 17394633
2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide
CID 115540029
N-[2-(difluoromethoxy)phenyl]-5-fluoro-2-methoxybenzamide
CID 31079743
4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43643328
2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55332147
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide
CID 61089997
5-amino-2-(dimethylamino)-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482639
5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594537

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide?
The IUPAC name of 5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide (CID 91683152) is 5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide.
What is the SMILES notation for 5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide?
The canonical SMILES for 5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide is CN(C)c1ccc(N)cc1C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of 5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide?
The InChIKey is MEOOYHAKAKSCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-21(2)13-8-7-10(19)9-11(13)15(22)20-12-5-3-4-6-14(12)23-16(17)18/h3-9,16H,19H2,1-2H3,(H,20,22).
What are the key properties of 5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide?
5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide has a molecular weight of 321.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide is sourced from PubChem (CID 91683152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).