methane;3,4,5-trifluoro-N-methylbenzamide

C9H10F3NO — CID 162072247

IUPACmethane;3,4,5-trifluoro-N-methylbenzamide
SMILESC.CNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C8H6F3NO.CH4/c1-12-8(13)4-2-5(9)7(11)6(10)3-4;/h2-3H,1H3,(H,12,13);1H4
InChIKeyZBFZCZYBYSMOAM-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.10
Rot. Bonds1

About methane;3,4,5-trifluoro-N-methylbenzamide

methane;3,4,5-trifluoro-N-methylbenzamide (PubChem CID 162072247) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is methane;3,4,5-trifluoro-N-methylbenzamide.

Molecular Properties

Compound Namemethane;3,4,5-trifluoro-N-methylbenzamide
PubChem CID162072247
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Namemethane;3,4,5-trifluoro-N-methylbenzamide
SMILESC.CNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C8H6F3NO.CH4/c1-12-8(13)4-2-5(9)7(11)6(10)3-4;/h2-3H,1H3,(H,12,13);1H4
InChIKeyZBFZCZYBYSMOAM-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze methane;3,4,5-trifluoro-N-methylbenzamide 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

1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
3-fluoro-N,4,5-trimethylbenzamide
CID 142998846
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CID 63187176
[3-fluoro-2-methyl-5-(methylcarbamoyl)phenyl]boronic acid
CID 142998845
3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide
CID 115634311
3,4,5-trifluoro-N-(2-oxopropyl)benzamide
CID 64997335
CID 167532226
CID 167532226
3-fluoro-N-methyl-4-methylsulfanylbenzamide
CID 149067923
N-cyano-3,4,5-trifluorobenzamide
CID 79194594
3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112
3-fluoro-4-formyl-N-methylbenzamide
CID 131572088

Frequently Asked Questions

What is the IUPAC name of methane;3,4,5-trifluoro-N-methylbenzamide?
The IUPAC name of methane;3,4,5-trifluoro-N-methylbenzamide (CID 162072247) is methane;3,4,5-trifluoro-N-methylbenzamide.
What is the SMILES notation for methane;3,4,5-trifluoro-N-methylbenzamide?
The canonical SMILES for methane;3,4,5-trifluoro-N-methylbenzamide is C.CNC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of methane;3,4,5-trifluoro-N-methylbenzamide?
The InChIKey is ZBFZCZYBYSMOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO.CH4/c1-12-8(13)4-2-5(9)7(11)6(10)3-4;/h2-3H,1H3,(H,12,13);1H4.
What are the key properties of methane;3,4,5-trifluoro-N-methylbenzamide?
methane;3,4,5-trifluoro-N-methylbenzamide has a molecular weight of 205.18 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3,4,5-trifluoro-N-methylbenzamide is sourced from PubChem (CID 162072247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).