N-(2-bromophenyl)-3-phenylpropanamide

C15H14BrNO — CID 727101

IUPACN-(2-bromophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C15H14BrNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyIKFFKHBEKDTROE-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.02
Rot. Bonds4

About N-(2-bromophenyl)-3-phenylpropanamide

N-(2-bromophenyl)-3-phenylpropanamide (PubChem CID 727101) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-phenylpropanamide
PubChem CID727101
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC NameN-(2-bromophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C15H14BrNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyIKFFKHBEKDTROE-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-phenylpropanamide?
The IUPAC name of N-(2-bromophenyl)-3-phenylpropanamide (CID 727101) is N-(2-bromophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-bromophenyl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-phenylpropanamide?
The InChIKey is IKFFKHBEKDTROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of N-(2-bromophenyl)-3-phenylpropanamide?
N-(2-bromophenyl)-3-phenylpropanamide has a molecular weight of 304.19 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-phenylpropanamide is sourced from PubChem (CID 727101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).