N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide

C15H19F3N2O — CID 103970179

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide
SMILESNCC1(CNC(=O)c2cc(F)c(F)c(F)c2)CCCCC1
InChIInChI=1S/C15H19F3N2O/c16-11-6-10(7-12(17)13(11)18)14(21)20-9-15(8-19)4-2-1-3-5-15/h6-7H,1-5,8-9,19H2,(H,20,21)
InChIKeyRZSSHXAWCPYNOK-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.74
Rot. Bonds4

About N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide (PubChem CID 103970179) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide
PubChem CID103970179
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide
SMILESNCC1(CNC(=O)c2cc(F)c(F)c(F)c2)CCCCC1
InChIInChI=1S/C15H19F3N2O/c16-11-6-10(7-12(17)13(11)18)14(21)20-9-15(8-19)4-2-1-3-5-15/h6-7H,1-5,8-9,19H2,(H,20,21)
InChIKeyRZSSHXAWCPYNOK-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.74
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

N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677827
3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701272
N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide
CID 103970220
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide
CID 107017112
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide
CID 115365544
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 63186883
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 115365565
3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267549
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113360016
3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 59356128

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide (CID 103970179) is N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide is NCC1(CNC(=O)c2cc(F)c(F)c(F)c2)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide?
The InChIKey is RZSSHXAWCPYNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-11-6-10(7-12(17)13(11)18)14(21)20-9-15(8-19)4-2-1-3-5-15/h6-7H,1-5,8-9,19H2,(H,20,21).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide has a molecular weight of 300.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide is sourced from PubChem (CID 103970179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).