N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide

C14H13F3N2O2 — CID 79095580

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(N)c(C(F)(F)F)c2)o1
InChIInChI=1S/C14H13F3N2O2/c1-2-9-4-6-12(21-9)13(20)19-8-3-5-11(18)10(7-8)14(15,16)17/h3-7H,2,18H2,1H3,(H,19,20)
InChIKeyGJHIESACOLUJRL-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.70
Rot. Bonds3

About N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide

N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide (PubChem CID 79095580) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide
PubChem CID79095580
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(N)c(C(F)(F)F)c2)o1
InChIInChI=1S/C14H13F3N2O2/c1-2-9-4-6-12(21-9)13(20)19-8-3-5-11(18)10(7-8)14(15,16)17/h3-7H,2,18H2,1H3,(H,19,20)
InChIKeyGJHIESACOLUJRL-UHFFFAOYSA-N
XLogP3.70
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79094156
5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86913717
5-ethyl-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 46422285
5-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917
3-[4-amino-3-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79154112
N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide
CID 16770916
N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 16776651
N-(2-amino-5-methylphenyl)-5-ethylfuran-2-carboxamide
CID 112557315
N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide
CID 16771044
N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 112726762
N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 16770362
5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide
CID 78981155

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide (CID 79095580) is N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)Nc2ccc(N)c(C(F)(F)F)c2)o1.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide?
The InChIKey is GJHIESACOLUJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-2-9-4-6-12(21-9)13(20)19-8-3-5-11(18)10(7-8)14(15,16)17/h3-7H,2,18H2,1H3,(H,19,20).
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide?
N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide has a molecular weight of 298.26 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 79095580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).