N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide

C15H13BrFNO2 — CID 5496910

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
SMILESC[C@@H](NC(=O)c1cc(F)ccc1O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyKFTNEILVDDUXGR-SECBINFHSA-N
MW338.18 g/mol
LogP3.78
Rot. Bonds3

About N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide

N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide (PubChem CID 5496910) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
PubChem CID5496910
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
SMILESC[C@@H](NC(=O)c1cc(F)ccc1O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyKFTNEILVDDUXGR-SECBINFHSA-N
XLogP3.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide (CID 5496910) is N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide is C[C@@H](NC(=O)c1cc(F)ccc1O)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is KFTNEILVDDUXGR-SECBINFHSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide has a molecular weight of 338.18 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 5496910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).