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

C14H17F3N2O — CID 106124628

IUPACN-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
SMILESNC1CCC(CNC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C14H17F3N2O/c15-11-6-5-10(12(16)13(11)17)14(20)19-7-8-1-3-9(18)4-2-8/h5-6,8-9H,1-4,7,18H2,(H,19,20)
InChIKeyGMVMGRCPCJQASE-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.35
Rot. Bonds3

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

N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide (PubChem CID 106124628) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
PubChem CID106124628
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
SMILESNC1CCC(CNC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C14H17F3N2O/c15-11-6-5-10(12(16)13(11)17)14(20)19-7-8-1-3-9(18)4-2-8/h5-6,8-9H,1-4,7,18H2,(H,19,20)
InChIKeyGMVMGRCPCJQASE-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

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110736173
N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 79756556
2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide
CID 108932810
N-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106124653
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide
CID 79749991
N-[[2-(bromomethyl)cyclopentyl]methyl]-2,3,4-trifluorobenzamide
CID 114317137
2-amino-N-(cyclopropylmethyl)-3-fluoropyridine-4-carboxamide
CID 105384388

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide (CID 106124628) is N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide is NC1CCC(CNC(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide?
The InChIKey is GMVMGRCPCJQASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-11-6-5-10(12(16)13(11)17)14(20)19-7-8-1-3-9(18)4-2-8/h5-6,8-9H,1-4,7,18H2,(H,19,20).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide?
N-[(4-aminocyclohexyl)methyl]-2,3,4-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-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 106124628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).