N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide

C14H12F3NO2 — CID 99839991

IUPACN-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N(CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C14H12F3NO2/c1-9-6-7-20-13(9)14(19)18(8-12(16)17)11-4-2-10(15)3-5-11/h2-7,12H,8H2,1H3
InChIKeyLBIOWJBGLTVEKR-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.64
Rot. Bonds4

About N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide

N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide (PubChem CID 99839991) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide
PubChem CID99839991
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC NameN-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N(CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C14H12F3NO2/c1-9-6-7-20-13(9)14(19)18(8-12(16)17)11-4-2-10(15)3-5-11/h2-7,12H,8H2,1H3
InChIKeyLBIOWJBGLTVEKR-UHFFFAOYSA-N
XLogP3.64
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-methylfuran-2-carboxamide
CID 107491528
2-(N-(3-methylfuran-2-carbonyl)anilino)acetic acid
CID 60830300
(4-fluorophenyl)-(3-methylfuran-2-yl)methanone
CID 43462648
3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid
CID 82321510
N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-nitrothiophene-2-carboxamide
CID 99839977
5-chloro-N-(2,2-difluoroethyl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 99839945
3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid
CID 84583373
2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 105373368
methyl 2-methyl-3-[methyl-(3-methylfuran-2-carbonyl)amino]propanoate
CID 55008207
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 51240546
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylfuran-2-carboxamide
CID 134041307
N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylfuran-2-carboxamide
CID 61038775

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide (CID 99839991) is N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)N(CC(F)F)c1ccc(F)cc1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide?
The InChIKey is LBIOWJBGLTVEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-9-6-7-20-13(9)14(19)18(8-12(16)17)11-4-2-10(15)3-5-11/h2-7,12H,8H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide?
N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide has a molecular weight of 283.25 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 99839991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).