N-(4-bromo-2-fluorophenyl)-3-phenylpropanamide

C15H13BrFNO — CID 884851

IUPACN-(4-bromo-2-fluorophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H13BrFNO/c16-12-7-8-14(13(17)10-12)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,18,19)
InChIKeyREXSCSSOCGYVDH-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.16
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-3-phenylpropanamide

N-(4-bromo-2-fluorophenyl)-3-phenylpropanamide (PubChem CID 884851) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-phenylpropanamide
PubChem CID884851
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H13BrFNO/c16-12-7-8-14(13(17)10-12)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,18,19)
InChIKeyREXSCSSOCGYVDH-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-phenylpropanamide (CID 884851) is N-(4-bromo-2-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-phenylpropanamide?
The InChIKey is REXSCSSOCGYVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c16-12-7-8-14(13(17)10-12)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-phenylpropanamide?
N-(4-bromo-2-fluorophenyl)-3-phenylpropanamide has a molecular weight of 322.18 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 884851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).