2,3-difluoro-N-(methylaminomethyl)benzamide

C9H10F2N2O — CID 140814501

IUPAC2,3-difluoro-N-(methylaminomethyl)benzamide
SMILESCNCNC(=O)c1cccc(F)c1F
InChIInChI=1S/C9H10F2N2O/c1-12-5-13-9(14)6-3-2-4-7(10)8(6)11/h2-4,12H,5H2,1H3,(H,13,14)
InChIKeyZVOIBQKGUCSTEP-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.87
Rot. Bonds3

About 2,3-difluoro-N-(methylaminomethyl)benzamide

2,3-difluoro-N-(methylaminomethyl)benzamide (PubChem CID 140814501) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 2,3-difluoro-N-(methylaminomethyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(methylaminomethyl)benzamide
PubChem CID140814501
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2,3-difluoro-N-(methylaminomethyl)benzamide
SMILESCNCNC(=O)c1cccc(F)c1F
InChIInChI=1S/C9H10F2N2O/c1-12-5-13-9(14)6-3-2-4-7(10)8(6)11/h2-4,12H,5H2,1H3,(H,13,14)
InChIKeyZVOIBQKGUCSTEP-UHFFFAOYSA-N
XLogP0.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
CID 91645374
2,3-difluoro-N-pentylbenzamide
CID 62649821
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-(3,3-dimethylbutyl)-2,3-difluorobenzamide
CID 115605194
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
2,3-difluoro-N-(3-methylbut-2-enyl)benzamide
CID 103528227
2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996706
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
2,3-difluoro-N-(2-methylsulfonylethyl)benzamide
CID 62650533
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(methylaminomethyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(methylaminomethyl)benzamide (CID 140814501) is 2,3-difluoro-N-(methylaminomethyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(methylaminomethyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(methylaminomethyl)benzamide is CNCNC(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(methylaminomethyl)benzamide?
The InChIKey is ZVOIBQKGUCSTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-12-5-13-9(14)6-3-2-4-7(10)8(6)11/h2-4,12H,5H2,1H3,(H,13,14).
What are the key properties of 2,3-difluoro-N-(methylaminomethyl)benzamide?
2,3-difluoro-N-(methylaminomethyl)benzamide has a molecular weight of 200.19 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(methylaminomethyl)benzamide is sourced from PubChem (CID 140814501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).