N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide

C15H13F3N2O — CID 63186443

IUPACN-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
SMILESNCc1ccccc1CNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H13F3N2O/c16-12-5-11(6-13(17)14(12)18)15(21)20-8-10-4-2-1-3-9(10)7-19/h1-6H,7-8,19H2,(H,20,21)
InChIKeyRYVFFPYRCOIGIV-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.49
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide

N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide (PubChem CID 63186443) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
PubChem CID63186443
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
SMILESNCc1ccccc1CNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H13F3N2O/c16-12-5-11(6-13(17)14(12)18)15(21)20-8-10-4-2-1-3-9(10)7-19/h1-6H,7-8,19H2,(H,20,21)
InChIKeyRYVFFPYRCOIGIV-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115735463
3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide
CID 62949892
N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide
CID 82771924
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
N-[[2-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 62950627
N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 62950632
N-[[2-(aminomethyl)phenyl]methyl]-5-fluoro-2-hydroxybenzamide
CID 115299371
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244
N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide
CID 81461744
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide
CID 107956077
4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide
CID 64681507
N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 104671375

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide (CID 63186443) is N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide is NCc1ccccc1CNC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide?
The InChIKey is RYVFFPYRCOIGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-12-5-11(6-13(17)14(12)18)15(21)20-8-10-4-2-1-3-9(10)7-19/h1-6H,7-8,19H2,(H,20,21).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide?
N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide has a molecular weight of 294.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide is sourced from PubChem (CID 63186443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).