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

C13H11F3N2O2 — CID 43548408

IUPACN-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O2/c1-7-9(4-5-20-7)12(19)18-11-3-2-8(17)6-10(11)13(14,15)16/h2-6H,17H2,1H3,(H,18,19)
InChIKeyVPDZPAOQIUSXGQ-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.44
Rot. Bonds2

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

N-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide (PubChem CID 43548408) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
PubChem CID43548408
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC NameN-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O2/c1-7-9(4-5-20-7)12(19)18-11-3-2-8(17)6-10(11)13(14,15)16/h2-6H,17H2,1H3,(H,18,19)
InChIKeyVPDZPAOQIUSXGQ-UHFFFAOYSA-N
XLogP3.44
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.44
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-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106683164
N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide
CID 43549570
N-(4-amino-2-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 16773170
4-amino-N-[4-[[4-amino-2-(trifluoromethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzamide
CID 135301185
4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 150605694
N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 43548409
N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64949859
N-[4-amino-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65199742
1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide
CID 175351009
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide
CID 43549154
N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide
CID 106850739

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide (CID 43548408) is N-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of N-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is VPDZPAOQIUSXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-7-9(4-5-20-7)12(19)18-11-3-2-8(17)6-10(11)13(14,15)16/h2-6H,17H2,1H3,(H,18,19).
What are the key properties of N-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide?
N-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 43548408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).