N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide

C16H15BrFNO2 — CID 107016950

IUPACN-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide
SMILESO=C(Nc1cccc(CCCBr)c1)c1ccc(F)cc1O
InChIInChI=1S/C16H15BrFNO2/c17-8-2-4-11-3-1-5-13(9-11)19-16(21)14-7-6-12(18)10-15(14)20/h1,3,5-7,9-10,20H,2,4,8H2,(H,19,21)
InChIKeyUYSXGEWNZQALNY-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.11
Rot. Bonds5

About N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide

N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide (PubChem CID 107016950) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide
PubChem CID107016950
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC NameN-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide
SMILESO=C(Nc1cccc(CCCBr)c1)c1ccc(F)cc1O
InChIInChI=1S/C16H15BrFNO2/c17-8-2-4-11-3-1-5-13(9-11)19-16(21)14-7-6-12(18)10-15(14)20/h1,3,5-7,9-10,20H,2,4,8H2,(H,19,21)
InChIKeyUYSXGEWNZQALNY-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide
CID 114345344
N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
CID 115299606
2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 114344635
2,5-dibromo-N-[3-(3-bromopropyl)phenyl]thiophene-3-carboxamide
CID 107966238
2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide
CID 113270977
N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide
CID 107994161
5-fluoro-2-hydroxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 115299348
4-fluoro-2-hydroxy-N-naphthalen-2-ylbenzamide
CID 107015197
N-(2,6-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888059
N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide
CID 113397917
2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 107689573
4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60715835

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide (CID 107016950) is N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide is O=C(Nc1cccc(CCCBr)c1)c1ccc(F)cc1O.
What is the InChIKey of N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide?
The InChIKey is UYSXGEWNZQALNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c17-8-2-4-11-3-1-5-13(9-11)19-16(21)14-7-6-12(18)10-15(14)20/h1,3,5-7,9-10,20H,2,4,8H2,(H,19,21).
What are the key properties of N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide?
N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide has a molecular weight of 352.20 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 107016950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).