2-amino-4,6-difluoro-N,N-dimethylbenzamide

C9H10F2N2O — CID 70098620

IUPAC2-amino-4,6-difluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1c(N)cc(F)cc1F
InChIInChI=1S/C9H10F2N2O/c1-13(2)9(14)8-6(11)3-5(10)4-7(8)12/h3-4H,12H2,1-2H3
InChIKeyIIHNUJRSEPZNOT-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.25
Rot. Bonds1

About 2-amino-4,6-difluoro-N,N-dimethylbenzamide

2-amino-4,6-difluoro-N,N-dimethylbenzamide (PubChem CID 70098620) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-amino-4,6-difluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-4,6-difluoro-N,N-dimethylbenzamide
PubChem CID70098620
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-amino-4,6-difluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1c(N)cc(F)cc1F
InChIInChI=1S/C9H10F2N2O/c1-13(2)9(14)8-6(11)3-5(10)4-7(8)12/h3-4H,12H2,1-2H3
InChIKeyIIHNUJRSEPZNOT-UHFFFAOYSA-N
XLogP1.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-2,3-difluoro-N,N-dimethylbenzamide
CID 70098378
2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 70098730
2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide
CID 166301389
6-amino-3-butoxy-2,4-difluoro-N,N-dimethylbenzamide
CID 89234249
2-amino-4-ethyl-6-fluorobenzoic acid
CID 146075343
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide
CID 167232867
2-fluoro-N,N-dimethyl-4,6-dinitrobenzamide;4-fluoro-N,N-dimethyl-2,6-dinitrobenzamide
CID 5290708
3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea
CID 81310656
N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 65101704
4-amino-3-fluoro-N,N,5-trimethylbenzamide
CID 177300697
2,3,6-trifluoro-N,N-dimethyl-4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide
CID 165404066

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-difluoro-N,N-dimethylbenzamide?
The IUPAC name of 2-amino-4,6-difluoro-N,N-dimethylbenzamide (CID 70098620) is 2-amino-4,6-difluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-amino-4,6-difluoro-N,N-dimethylbenzamide?
The canonical SMILES for 2-amino-4,6-difluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1c(N)cc(F)cc1F.
What is the InChIKey of 2-amino-4,6-difluoro-N,N-dimethylbenzamide?
The InChIKey is IIHNUJRSEPZNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-13(2)9(14)8-6(11)3-5(10)4-7(8)12/h3-4H,12H2,1-2H3.
What are the key properties of 2-amino-4,6-difluoro-N,N-dimethylbenzamide?
2-amino-4,6-difluoro-N,N-dimethylbenzamide has a molecular weight of 200.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-difluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 70098620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).