N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide

C17H17BrFNO — CID 46485276

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCc1cc(Br)ccc1F
InChIInChI=1S/C17H17BrFNO/c18-15-9-10-16(19)14(11-15)12-20-17(21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2,(H,20,21)
InChIKeyBKFYSJLLYRCHPN-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.23
Rot. Bonds6

About N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide

N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide (PubChem CID 46485276) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide
PubChem CID46485276
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCc1cc(Br)ccc1F
InChIInChI=1S/C17H17BrFNO/c18-15-9-10-16(19)14(11-15)12-20-17(21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2,(H,20,21)
InChIKeyBKFYSJLLYRCHPN-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(5-bromo-2-fluorophenyl)methyl]-4-ethoxybutanamide
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N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide
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N-[(5-bromo-2-fluorophenyl)methyl]-3-phenylprop-2-ynamide
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CID 124707474
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
CID 61298690
7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide
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N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide (CID 46485276) is N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide?
The InChIKey is BKFYSJLLYRCHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c18-15-9-10-16(19)14(11-15)12-20-17(21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2,(H,20,21).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide?
N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide has a molecular weight of 350.23 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 46485276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).