N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide

C14H19F3N2O2 — CID 99625244

IUPACN-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCN[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)10-3-1-4-11(9-10)18-6-7-19-13(20)12-5-2-8-21-12/h2,5,8,10-11,18H,1,3-4,6-7,9H2,(H,19,20)/t10-,11+/m1/s1
InChIKeyCYDAGAGUCKAIHU-MNOVXSKESA-N
MW304.31 g/mol
LogP2.72
Rot. Bonds5

About N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide

N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide (PubChem CID 99625244) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide
PubChem CID99625244
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCN[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)10-3-1-4-11(9-10)18-6-7-19-13(20)12-5-2-8-21-12/h2,5,8,10-11,18H,1,3-4,6-7,9H2,(H,19,20)/t10-,11+/m1/s1
InChIKeyCYDAGAGUCKAIHU-MNOVXSKESA-N
XLogP2.72
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide
CID 7256034
N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156886
N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid
CID 126468859
N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide
CID 124572800
N-[2-[(4-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156885
(2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 100643068
[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol
CID 102609613
N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119620715
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
N-cyclooctylfuran-2-carboxamide
CID 790432
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
CID 18147759

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide (CID 99625244) is N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide is O=C(NCCN[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1.
What is the InChIKey of N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is CYDAGAGUCKAIHU-MNOVXSKESA-N. The full InChI is InChI=1S/C14H19F3N2O2/c15-14(16,17)10-3-1-4-11(9-10)18-6-7-19-13(20)12-5-2-8-21-12/h2,5,8,10-11,18H,1,3-4,6-7,9H2,(H,19,20)/t10-,11+/m1/s1.
What are the key properties of N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 99625244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).