N,2-dimethylbenzamide;trifluoroborane

C9H11BF3NO — CID 174957672

IUPACN,2-dimethylbenzamide;trifluoroborane
SMILESCNC(=O)c1ccccc1C.FB(F)F
InChIInChI=1S/C9H11NO.BF3/c1-7-5-3-4-6-8(7)9(11)10-2;2-1(3)4/h3-6H,1-2H3,(H,10,11);
InChIKeyBRMXNGIAWCLCLO-UHFFFAOYSA-N
MW217.00 g/mol
LogP2.23
Rot. Bonds1

About N,2-dimethylbenzamide;trifluoroborane

N,2-dimethylbenzamide;trifluoroborane (PubChem CID 174957672) has the molecular formula C9H11BF3NO and a molecular weight of 217.00 g/mol. Its IUPAC name is N,2-dimethylbenzamide;trifluoroborane.

Molecular Properties

Compound NameN,2-dimethylbenzamide;trifluoroborane
PubChem CID174957672
Molecular FormulaC9H11BF3NO
Molecular Weight217.00 g/mol
Exact Mass217.09
IUPAC NameN,2-dimethylbenzamide;trifluoroborane
SMILESCNC(=O)c1ccccc1C.FB(F)F
InChIInChI=1S/C9H11NO.BF3/c1-7-5-3-4-6-8(7)9(11)10-2;2-1(3)4/h3-6H,1-2H3,(H,10,11);
InChIKeyBRMXNGIAWCLCLO-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.00
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,2-dimethylbenzamide;trifluoroborane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N,2,3-trimethylbenzamide
CID 178108869
N,2-dimethyl-3-(2-methylphenyl)benzamide
CID 154015357
1-methyl-3-[(2-methylbenzoyl)amino]thiourea
CID 2731335
ethane;2-fluoro-N-methylbenzamide
CID 178102327
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
N,4-dimethylnaphthalene-1-carboxamide
CID 90054861
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
N,3-dimethyl-2-(methylideneamino)benzamide
CID 135267076
lithium;hydride;2-methylbenzoic acid;N-methylmethanamine
CID 173248738
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylbenzamide;trifluoroborane?
The IUPAC name of N,2-dimethylbenzamide;trifluoroborane (CID 174957672) is N,2-dimethylbenzamide;trifluoroborane.
What is the SMILES notation for N,2-dimethylbenzamide;trifluoroborane?
The canonical SMILES for N,2-dimethylbenzamide;trifluoroborane is CNC(=O)c1ccccc1C.FB(F)F.
What is the InChIKey of N,2-dimethylbenzamide;trifluoroborane?
The InChIKey is BRMXNGIAWCLCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.BF3/c1-7-5-3-4-6-8(7)9(11)10-2;2-1(3)4/h3-6H,1-2H3,(H,10,11);.
What are the key properties of N,2-dimethylbenzamide;trifluoroborane?
N,2-dimethylbenzamide;trifluoroborane has a molecular weight of 217.00 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylbenzamide;trifluoroborane is sourced from PubChem (CID 174957672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).