N-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide

C12H10F2N2O2 — CID 22612964

IUPACN-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide
SMILESNc1ccc(NC(=O)c2ccc(C(F)F)o2)cc1
InChIInChI=1S/C12H10F2N2O2/c13-11(14)9-5-6-10(18-9)12(17)16-8-3-1-7(15)2-4-8/h1-6,11H,15H2,(H,16,17)
InChIKeyJNGNUPBISRXPOY-UHFFFAOYSA-N
MW252.22 g/mol
LogP3.05
Rot. Bonds3

About N-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide

N-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide (PubChem CID 22612964) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is N-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide
PubChem CID22612964
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC NameN-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide
SMILESNc1ccc(NC(=O)c2ccc(C(F)F)o2)cc1
InChIInChI=1S/C12H10F2N2O2/c13-11(14)9-5-6-10(18-9)12(17)16-8-3-1-7(15)2-4-8/h1-6,11H,15H2,(H,16,17)
InChIKeyJNGNUPBISRXPOY-UHFFFAOYSA-N
XLogP3.05
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide
CID 22612940
4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid
CID 70189415
N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide
CID 82344374
N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 100829850
(2R)-N-(4-aminophenyl)-2-fluoropropanamide
CID 131168097
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
N-(4-aminophenyl)-5-bromofuran-2-carboxamide;N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 159467877
tert-butyl N-[[5-[(4-aminophenyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 140688111
methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate
CID 82344340
5-amino-N-(4-butylphenyl)furan-2-carboxamide
CID 82344263
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
N-(4-aminophenyl)-2,6-dihydroxybenzamide
CID 107687533

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide (CID 22612964) is N-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide is Nc1ccc(NC(=O)c2ccc(C(F)F)o2)cc1.
What is the InChIKey of N-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide?
The InChIKey is JNGNUPBISRXPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c13-11(14)9-5-6-10(18-9)12(17)16-8-3-1-7(15)2-4-8/h1-6,11H,15H2,(H,16,17).
What are the key properties of N-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide?
N-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide has a molecular weight of 252.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide is sourced from PubChem (CID 22612964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).