(4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide

C12H15BrFNO2 — CID 167539497

IUPAC(4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide
SMILESC[C@@H](CCC(N)=O)COc1cccc(Br)c1F
InChIInChI=1S/C12H15BrFNO2/c1-8(5-6-11(15)16)7-17-10-4-2-3-9(13)12(10)14/h2-4,8H,5-7H2,1H3,(H2,15,16)/t8-/m0/s1
InChIKeyAZGMRTAWKGLTFF-QMMMGPOBSA-N
MW304.16 g/mol
LogP2.87
Rot. Bonds6

About (4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide

(4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide (PubChem CID 167539497) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is (4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide.

Molecular Properties

Compound Name(4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide
PubChem CID167539497
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name(4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide
SMILESC[C@@H](CCC(N)=O)COc1cccc(Br)c1F
InChIInChI=1S/C12H15BrFNO2/c1-8(5-6-11(15)16)7-17-10-4-2-3-9(13)12(10)14/h2-4,8H,5-7H2,1H3,(H2,15,16)/t8-/m0/s1
InChIKeyAZGMRTAWKGLTFF-QMMMGPOBSA-N
XLogP2.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-5-(3-bromophenoxy)-4-methylpentanamide
CID 167563643
(4S)-5-(4-bromophenoxy)-4-methylpentanamide
CID 167532767
2-bromo-6-(2-methylpentoxy)benzoic acid
CID 103285847
methyl 4-[3-[(2S)-5-amino-2-methyl-5-oxopentoxy]-2-chlorophenyl]butanoate
CID 167550365
4-(3-bromo-2-fluorophenoxy)-2-fluoro-N-methylbutanamide
CID 176959820
6-[3-[(2S)-5-amino-2-methyl-5-oxopentoxy]-2-methylphenyl]hex-5-ynoic acid
CID 167638435
4-(3-bromo-2-fluorophenoxy)-2-fluoro-1-(4-fluorophenyl)butan-1-one;ethane
CID 176959818
3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine
CID 107659711
6-[3-[(2S)-5-amino-2-methyl-5-oxopentoxy]-5-chloro-2-fluorophenyl]hexanoic acid
CID 167653385
2-(3-bromo-2-fluorophenoxy)ethanamine;hydrochloride
CID 170912674
2-fluoro-6-(2-methylpentoxy)benzenecarbothioamide
CID 62266227
1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene
CID 167882295

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide?
The IUPAC name of (4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide (CID 167539497) is (4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide.
What is the SMILES notation for (4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide?
The canonical SMILES for (4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide is C[C@@H](CCC(N)=O)COc1cccc(Br)c1F.
What is the InChIKey of (4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide?
The InChIKey is AZGMRTAWKGLTFF-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-8(5-6-11(15)16)7-17-10-4-2-3-9(13)12(10)14/h2-4,8H,5-7H2,1H3,(H2,15,16)/t8-/m0/s1.
What are the key properties of (4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide?
(4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide has a molecular weight of 304.16 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide is sourced from PubChem (CID 167539497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).