4-(aminomethyl)-2,6-difluoro-N-methylbenzamide

C9H10F2N2O — CID 130594863

IUPAC4-(aminomethyl)-2,6-difluoro-N-methylbenzamide
SMILESCNC(=O)c1c(F)cc(CN)cc1F
InChIInChI=1S/C9H10F2N2O/c1-13-9(14)8-6(10)2-5(4-12)3-7(8)11/h2-3H,4,12H2,1H3,(H,13,14)
InChIKeyQDFLMJGLUYSSDI-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.78
Rot. Bonds2

About 4-(aminomethyl)-2,6-difluoro-N-methylbenzamide

4-(aminomethyl)-2,6-difluoro-N-methylbenzamide (PubChem CID 130594863) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 4-(aminomethyl)-2,6-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-2,6-difluoro-N-methylbenzamide
PubChem CID130594863
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name4-(aminomethyl)-2,6-difluoro-N-methylbenzamide
SMILESCNC(=O)c1c(F)cc(CN)cc1F
InChIInChI=1S/C9H10F2N2O/c1-13-9(14)8-6(10)2-5(4-12)3-7(8)11/h2-3H,4,12H2,1H3,(H,13,14)
InChIKeyQDFLMJGLUYSSDI-UHFFFAOYSA-N
XLogP0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79886402
3-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]-N-methylpropanamide
CID 106914423
(3,4,5-trifluorophenyl)methanamine;hydrochloride
CID 86064922
4-(aminomethyl)-N-ethyl-2-fluorobenzamide
CID 90167372
methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
CID 117275720
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
4-(aminomethyl)-2,6-difluorobenzenecarboximidamide
CID 170745941
(3,5-difluoro-4-methylsulfanylphenyl)methanamine
CID 63814041
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide
CID 79887348
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide
CID 63358790
2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide
CID 79886751
2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide
CID 102813438

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,6-difluoro-N-methylbenzamide?
The IUPAC name of 4-(aminomethyl)-2,6-difluoro-N-methylbenzamide (CID 130594863) is 4-(aminomethyl)-2,6-difluoro-N-methylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-2,6-difluoro-N-methylbenzamide?
The canonical SMILES for 4-(aminomethyl)-2,6-difluoro-N-methylbenzamide is CNC(=O)c1c(F)cc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-2,6-difluoro-N-methylbenzamide?
The InChIKey is QDFLMJGLUYSSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-13-9(14)8-6(10)2-5(4-12)3-7(8)11/h2-3H,4,12H2,1H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-2,6-difluoro-N-methylbenzamide?
4-(aminomethyl)-2,6-difluoro-N-methylbenzamide has a molecular weight of 200.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,6-difluoro-N-methylbenzamide is sourced from PubChem (CID 130594863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).