N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide

C14H17F3N2O — CID 106123128

IUPACN-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide
SMILESNC1CCCC(CNC(=O)c2c(F)cc(F)cc2F)C1
InChIInChI=1S/C14H17F3N2O/c15-9-5-11(16)13(12(17)6-9)14(20)19-7-8-2-1-3-10(18)4-8/h5-6,8,10H,1-4,7,18H2,(H,19,20)
InChIKeyATCPHXUQFFCSBL-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.35
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide

N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide (PubChem CID 106123128) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide
PubChem CID106123128
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide
SMILESNC1CCCC(CNC(=O)c2c(F)cc(F)cc2F)C1
InChIInChI=1S/C14H17F3N2O/c15-9-5-11(16)13(12(17)6-9)14(20)19-7-8-2-1-3-10(18)4-8/h5-6,8,10H,1-4,7,18H2,(H,19,20)
InChIKeyATCPHXUQFFCSBL-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106123345
N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide
CID 106123375
N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106123955
N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide
CID 106123256
N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106123491
N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106123350
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944182
N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide
CID 65100401
N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
CID 106123416
N-[(3-chlorocyclohexyl)methyl]-3-fluoro-5-methylbenzamide
CID 106132483

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide (CID 106123128) is N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide is NC1CCCC(CNC(=O)c2c(F)cc(F)cc2F)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide?
The InChIKey is ATCPHXUQFFCSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-9-5-11(16)13(12(17)6-9)14(20)19-7-8-2-1-3-10(18)4-8/h5-6,8,10H,1-4,7,18H2,(H,19,20).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide?
N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide has a molecular weight of 286.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide is sourced from PubChem (CID 106123128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).