N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide

C16H15BrFNO2 — CID 52572900

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)NCc1cc(Br)ccc1F
InChIInChI=1S/C16H15BrFNO2/c17-13-6-7-14(18)12(9-13)10-19-16(21)8-5-11-3-1-2-4-15(11)20/h1-4,6-7,9,20H,5,8,10H2,(H,19,21)
InChIKeyRTPGKSTURKKAOE-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.54
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide

N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide (PubChem CID 52572900) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
PubChem CID52572900
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)NCc1cc(Br)ccc1F
InChIInChI=1S/C16H15BrFNO2/c17-13-6-7-14(18)12(9-13)10-19-16(21)8-5-11-3-1-2-4-15(11)20/h1-4,6-7,9,20H,5,8,10H2,(H,19,21)
InChIKeyRTPGKSTURKKAOE-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide (CID 52572900) is N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide is O=C(CCc1ccccc1O)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide?
The InChIKey is RTPGKSTURKKAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c17-13-6-7-14(18)12(9-13)10-19-16(21)8-5-11-3-1-2-4-15(11)20/h1-4,6-7,9,20H,5,8,10H2,(H,19,21).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide?
N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide has a molecular weight of 352.20 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 52572900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).