N-(2-bromophenyl)-4-phenylbutanamide

C16H16BrNO — CID 2226745

IUPACN-(2-bromophenyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C16H16BrNO/c17-14-10-4-5-11-15(14)18-16(19)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H,18,19)
InChIKeyQFLJHMOUGAOZEN-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.41
Rot. Bonds5

About N-(2-bromophenyl)-4-phenylbutanamide

N-(2-bromophenyl)-4-phenylbutanamide (PubChem CID 2226745) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-phenylbutanamide
PubChem CID2226745
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-(2-bromophenyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C16H16BrNO/c17-14-10-4-5-11-15(14)18-16(19)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H,18,19)
InChIKeyQFLJHMOUGAOZEN-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-phenylbutanamide?
The IUPAC name of N-(2-bromophenyl)-4-phenylbutanamide (CID 2226745) is N-(2-bromophenyl)-4-phenylbutanamide.
What is the SMILES notation for N-(2-bromophenyl)-4-phenylbutanamide?
The canonical SMILES for N-(2-bromophenyl)-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-4-phenylbutanamide?
The InChIKey is QFLJHMOUGAOZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-14-10-4-5-11-15(14)18-16(19)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2,(H,18,19).
What are the key properties of N-(2-bromophenyl)-4-phenylbutanamide?
N-(2-bromophenyl)-4-phenylbutanamide has a molecular weight of 318.21 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-phenylbutanamide is sourced from PubChem (CID 2226745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).