1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide

C14H17F3N2O — CID 64555084

IUPAC1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)Nc2cc(F)c(F)cc2F)C1
InChIInChI=1S/C14H17F3N2O/c1-8-3-2-4-14(18,7-8)13(20)19-12-6-10(16)9(15)5-11(12)17/h5-6,8H,2-4,7,18H2,1H3,(H,19,20)
InChIKeyUQUXOQPCVNBYIT-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.95
Rot. Bonds2

About 1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide

1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide (PubChem CID 64555084) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide
PubChem CID64555084
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)Nc2cc(F)c(F)cc2F)C1
InChIInChI=1S/C14H17F3N2O/c1-8-3-2-4-14(18,7-8)13(20)19-12-6-10(16)9(15)5-11(12)17/h5-6,8H,2-4,7,18H2,1H3,(H,19,20)
InChIKeyUQUXOQPCVNBYIT-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 103585988
1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide
CID 62816762
1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64548793
1-amino-N-(4-fluoro-2-nitrophenyl)-3-methylcyclohexane-1-carboxamide
CID 64551080
1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550833
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide
CID 64551233
1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide
CID 64550871
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide
CID 64551079
1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 64550053
1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide
CID 64552972

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide (CID 64555084) is 1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)Nc2cc(F)c(F)cc2F)C1.
What is the InChIKey of 1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is UQUXOQPCVNBYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-8-3-2-4-14(18,7-8)13(20)19-12-6-10(16)9(15)5-11(12)17/h5-6,8H,2-4,7,18H2,1H3,(H,19,20).
What are the key properties of 1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide?
1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64555084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).