3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide

C11H12F4N2O — CID 106289370

IUPAC3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESNCc1cccc(C(=O)NCC(F)(F)C(F)F)c1
InChIInChI=1S/C11H12F4N2O/c12-10(13)11(14,15)6-17-9(18)8-3-1-2-7(4-8)5-16/h1-4,10H,5-6,16H2,(H,17,18)
InChIKeyWDFDEVAQPSRIBL-UHFFFAOYSA-N
MW264.22 g/mol
LogP1.78
Rot. Bonds5

About 3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide

3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 106289370) has the molecular formula C11H12F4N2O and a molecular weight of 264.22 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID106289370
Molecular FormulaC11H12F4N2O
Molecular Weight264.22 g/mol
Exact Mass264.09
IUPAC Name3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESNCc1cccc(C(=O)NCC(F)(F)C(F)F)c1
InChIInChI=1S/C11H12F4N2O/c12-10(13)11(14,15)6-17-9(18)8-3-1-2-7(4-8)5-16/h1-4,10H,5-6,16H2,(H,17,18)
InChIKeyWDFDEVAQPSRIBL-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide
CID 115161209
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291040
4-(bromomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106290959
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone
CID 174940425
N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 106293073
3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295547
3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
CID 28974181
2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106291883
3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119044888

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 106289370) is 3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide is NCc1cccc(C(=O)NCC(F)(F)C(F)F)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is WDFDEVAQPSRIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O/c12-10(13)11(14,15)6-17-9(18)8-3-1-2-7(4-8)5-16/h1-4,10H,5-6,16H2,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 264.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 106289370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).