N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide

C22H20F3NO3 — CID 134041285

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C22H20F3NO3/c23-19-4-2-1-3-18(19)20-11-9-16(28-20)10-12-21(27)26-14-13-15-5-7-17(8-6-15)29-22(24)25/h1-9,11,22H,10,12-14H2,(H,26,27)
InChIKeyIWYGEHLJFKFKDJ-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.98
Rot. Bonds9

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (PubChem CID 134041285) has the molecular formula C22H20F3NO3 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
PubChem CID134041285
Molecular FormulaC22H20F3NO3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C22H20F3NO3/c23-19-4-2-1-3-18(19)20-11-9-16(28-20)10-12-21(27)26-14-13-15-5-7-17(8-6-15)29-22(24)25/h1-9,11,22H,10,12-14H2,(H,26,27)
InChIKeyIWYGEHLJFKFKDJ-UHFFFAOYSA-N
XLogP4.98
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide 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-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9404529
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-phenoxyethyl)propanamide
CID 32934045
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119496957
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756
N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide
CID 24683496
2-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethylsulfanyl]acetic acid
CID 119242104
N-[(4-fluoro-3-methylphenyl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 16580078
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120827866
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
N-[4-(difluoromethoxy)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 9427796
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 30885363

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (CID 134041285) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is O=C(CCc1ccc(-c2ccccc2F)o1)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The InChIKey is IWYGEHLJFKFKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO3/c23-19-4-2-1-3-18(19)20-11-9-16(28-20)10-12-21(27)26-14-13-15-5-7-17(8-6-15)29-22(24)25/h1-9,11,22H,10,12-14H2,(H,26,27).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide has a molecular weight of 403.40 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is sourced from PubChem (CID 134041285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).