N-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide

C19H15BrFNO2 — CID 110296234

IUPACN-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
SMILESO=C(Nc1ccccc1Br)C(Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C19H15BrFNO2/c20-17-5-1-2-6-18(17)22-19(23)16(12-15-4-3-11-24-15)13-7-9-14(21)10-8-13/h1-11,16H,12H2,(H,22,23)
InChIKeyDSFRATHUAVXOKN-UHFFFAOYSA-N
MW388.24 g/mol
LogP5.15
Rot. Bonds5

About N-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide

N-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide (PubChem CID 110296234) has the molecular formula C19H15BrFNO2 and a molecular weight of 388.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
PubChem CID110296234
Molecular FormulaC19H15BrFNO2
Molecular Weight388.24 g/mol
Exact Mass387.03
IUPAC NameN-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
SMILESO=C(Nc1ccccc1Br)C(Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C19H15BrFNO2/c20-17-5-1-2-6-18(17)22-19(23)16(12-15-4-3-11-24-15)13-7-9-14(21)10-8-13/h1-11,16H,12H2,(H,22,23)
InChIKeyDSFRATHUAVXOKN-UHFFFAOYSA-N
XLogP5.15
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.24
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide (CID 110296234) is N-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide is O=C(Nc1ccccc1Br)C(Cc1ccco1)c1ccc(F)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
The InChIKey is DSFRATHUAVXOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFNO2/c20-17-5-1-2-6-18(17)22-19(23)16(12-15-4-3-11-24-15)13-7-9-14(21)10-8-13/h1-11,16H,12H2,(H,22,23).
What are the key properties of N-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide?
N-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide has a molecular weight of 388.24 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 110296234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).