3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C17H17F3N2O — CID 119044888

IUPAC3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1cccc(CN)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O/c1-11(13-5-7-15(8-6-13)17(18,19)20)22-16(23)14-4-2-3-12(9-14)10-21/h2-9,11H,10,21H2,1H3,(H,22,23)
InChIKeyVFNFOLJRBACKLT-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.66
Rot. Bonds4

About 3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide

3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 119044888) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID119044888
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1cccc(CN)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O/c1-11(13-5-7-15(8-6-13)17(18,19)20)22-16(23)14-4-2-3-12(9-14)10-21/h2-9,11H,10,21H2,1H3,(H,22,23)
InChIKeyVFNFOLJRBACKLT-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 37354866
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide
CID 60917725
3-(methylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46449027
3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 107863937
4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119303259
3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 43062333
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51940025
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide
CID 55261527
3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 37354088

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 119044888) is 3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide is CC(NC(=O)c1cccc(CN)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is VFNFOLJRBACKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-11(13-5-7-15(8-6-13)17(18,19)20)22-16(23)14-4-2-3-12(9-14)10-21/h2-9,11H,10,21H2,1H3,(H,22,23).
What are the key properties of 3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 322.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 119044888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).