N-(2-iminopropyl)-2-(trifluoromethyl)benzamide

C11H11F3N2O — CID 145390070

IUPACN-(2-iminopropyl)-2-(trifluoromethyl)benzamide
SMILES[H]/N=C(\C)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c1-7(15)6-16-10(17)8-4-2-3-5-9(8)11(12,13)14/h2-5,15H,6H2,1H3,(H,16,17)/b15-7+
InChIKeyYOVNDIVZUIPPML-VIZOYTHASA-N
MW244.22 g/mol
LogP2.47
Rot. Bonds3

About N-(2-iminopropyl)-2-(trifluoromethyl)benzamide

N-(2-iminopropyl)-2-(trifluoromethyl)benzamide (PubChem CID 145390070) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is N-(2-iminopropyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-iminopropyl)-2-(trifluoromethyl)benzamide
PubChem CID145390070
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC NameN-(2-iminopropyl)-2-(trifluoromethyl)benzamide
SMILES[H]/N=C(\C)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c1-7(15)6-16-10(17)8-4-2-3-5-9(8)11(12,13)14/h2-5,15H,6H2,1H3,(H,16,17)/b15-7+
InChIKeyYOVNDIVZUIPPML-VIZOYTHASA-N
XLogP2.47
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 108808081
acetic acid;2-(trifluoromethyl)benzenecarboximidamide
CID 122360504
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide
CID 95368900
N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 109468293
heptyl 2-[[2-(trifluoromethyl)benzoyl]amino]acetate
CID 6424754
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998

Frequently Asked Questions

What is the IUPAC name of N-(2-iminopropyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-iminopropyl)-2-(trifluoromethyl)benzamide (CID 145390070) is N-(2-iminopropyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-iminopropyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-iminopropyl)-2-(trifluoromethyl)benzamide is [H]/N=C(\C)CNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-iminopropyl)-2-(trifluoromethyl)benzamide?
The InChIKey is YOVNDIVZUIPPML-VIZOYTHASA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-7(15)6-16-10(17)8-4-2-3-5-9(8)11(12,13)14/h2-5,15H,6H2,1H3,(H,16,17)/b15-7+.
What are the key properties of N-(2-iminopropyl)-2-(trifluoromethyl)benzamide?
N-(2-iminopropyl)-2-(trifluoromethyl)benzamide has a molecular weight of 244.22 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iminopropyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 145390070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).