N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide

C22H20BrFN2O3 — CID 27801052

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C22H20BrFN2O3/c1-26(14-21(27)25-19-9-5-3-7-17(19)23)22(28)13-11-15-10-12-20(29-15)16-6-2-4-8-18(16)24/h2-10,12H,11,13-14H2,1H3,(H,25,27)
InChIKeyTZDDUWSYBLLLKV-UHFFFAOYSA-N
MW459.32 g/mol
LogP4.88
Rot. Bonds7

About N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide

N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide (PubChem CID 27801052) has the molecular formula C22H20BrFN2O3 and a molecular weight of 459.32 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide
PubChem CID27801052
Molecular FormulaC22H20BrFN2O3
Molecular Weight459.32 g/mol
Exact Mass458.06
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C22H20BrFN2O3/c1-26(14-21(27)25-19-9-5-3-7-17(19)23)22(28)13-11-15-10-12-20(29-15)16-6-2-4-8-18(16)24/h2-10,12H,11,13-14H2,1H3,(H,25,27)
InChIKeyTZDDUWSYBLLLKV-UHFFFAOYSA-N
XLogP4.88
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.32
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide
CID 27794966
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
CID 27800739
N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 51181026
[2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
CID 27058522
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-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 40713724
N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide
CID 51057322
3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 24516679
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide
CID 46554729
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide (CID 27801052) is N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide is CN(CC(=O)Nc1ccccc1Br)C(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide?
The InChIKey is TZDDUWSYBLLLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrFN2O3/c1-26(14-21(27)25-19-9-5-3-7-17(19)23)22(28)13-11-15-10-12-20(29-15)16-6-2-4-8-18(16)24/h2-10,12H,11,13-14H2,1H3,(H,25,27).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide has a molecular weight of 459.32 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide is sourced from PubChem (CID 27801052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).