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

C12H8ClF3N2O2 — CID 106683164

IUPACN-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccoc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H8ClF3N2O2/c13-10-7(3-4-20-10)11(19)18-9-2-1-6(17)5-8(9)12(14,15)16/h1-5H,17H2,(H,18,19)
InChIKeyLUFXPZLBMSYACX-UHFFFAOYSA-N
MW304.66 g/mol
LogP3.79
Rot. Bonds2

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

N-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide (PubChem CID 106683164) has the molecular formula C12H8ClF3N2O2 and a molecular weight of 304.66 g/mol. Its IUPAC name is N-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
PubChem CID106683164
Molecular FormulaC12H8ClF3N2O2
Molecular Weight304.66 g/mol
Exact Mass304.02
IUPAC NameN-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccoc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H8ClF3N2O2/c13-10-7(3-4-20-10)11(19)18-9-2-1-6(17)5-8(9)12(14,15)16/h1-5H,17H2,(H,18,19)
InChIKeyLUFXPZLBMSYACX-UHFFFAOYSA-N
XLogP3.79
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 53.79
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-methylfuran-3-carboxamide
CID 43548408
4-amino-N-[4-[[4-amino-2-(trifluoromethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzamide
CID 135301185
N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64949859
N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide
CID 106850739
2-chloro-N-(4-chloro-2-fluorophenyl)furan-3-carboxamide
CID 106685654
N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide
CID 106683097
N-(2-amino-5-fluorophenyl)-2-chlorofuran-3-carboxamide
CID 106683261
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106685898
4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 150605694
2-chloro-N-(2,4-difluorophenyl)furan-3-carboxamide
CID 106685284
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

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide?
The IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide (CID 106683164) is N-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide is Nc1ccc(NC(=O)c2ccoc2Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide?
The InChIKey is LUFXPZLBMSYACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2/c13-10-7(3-4-20-10)11(19)18-9-2-1-6(17)5-8(9)12(14,15)16/h1-5H,17H2,(H,18,19).
What are the key properties of N-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide?
N-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide has a molecular weight of 304.66 g/mol, XLogP of 3.79, 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-chlorofuran-3-carboxamide is sourced from PubChem (CID 106683164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).