N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide

C22H20F2N2O3 — CID 110615557

IUPACN-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
SMILESCC(NC(=O)C(Cc1ccco1)c1ccc(F)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H20F2N2O3/c1-14(21(27)26-20-7-3-2-6-19(20)24)25-22(28)18(13-17-5-4-12-29-17)15-8-10-16(23)11-9-15/h2-12,14,18H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyFBNFKHCLKJSZQV-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.03
Rot. Bonds7

About N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide

N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide (PubChem CID 110615557) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
PubChem CID110615557
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC NameN-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
SMILESCC(NC(=O)C(Cc1ccco1)c1ccc(F)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H20F2N2O3/c1-14(21(27)26-20-7-3-2-6-19(20)24)25-22(28)18(13-17-5-4-12-29-17)15-8-10-16(23)11-9-15/h2-12,14,18H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyFBNFKHCLKJSZQV-UHFFFAOYSA-N
XLogP4.03
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(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-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110296194
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110296223
2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 110296237
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
2-(4-fluorophenyl)-3-(furan-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110312152
2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide
CID 110601209
2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide
CID 110618053
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 17409766
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 30405106

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide (CID 110615557) is N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide is CC(NC(=O)C(Cc1ccco1)c1ccc(F)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The InChIKey is FBNFKHCLKJSZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c1-14(21(27)26-20-7-3-2-6-19(20)24)25-22(28)18(13-17-5-4-12-29-17)15-8-10-16(23)11-9-15/h2-12,14,18H,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide has a molecular weight of 398.41 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 110615557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).