(4S)-5-(3-bromophenoxy)-4-methylpentanamide

C12H16BrNO2 — CID 167563643

IUPAC(4S)-5-(3-bromophenoxy)-4-methylpentanamide
SMILESC[C@@H](CCC(N)=O)COc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-9(5-6-12(14)15)8-16-11-4-2-3-10(13)7-11/h2-4,7,9H,5-6,8H2,1H3,(H2,14,15)/t9-/m0/s1
InChIKeyDZKUWSIIMOSMMF-VIFPVBQESA-N
MW286.17 g/mol
LogP2.73
Rot. Bonds6

About (4S)-5-(3-bromophenoxy)-4-methylpentanamide

(4S)-5-(3-bromophenoxy)-4-methylpentanamide (PubChem CID 167563643) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is (4S)-5-(3-bromophenoxy)-4-methylpentanamide.

Molecular Properties

Compound Name(4S)-5-(3-bromophenoxy)-4-methylpentanamide
PubChem CID167563643
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name(4S)-5-(3-bromophenoxy)-4-methylpentanamide
SMILESC[C@@H](CCC(N)=O)COc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-9(5-6-12(14)15)8-16-11-4-2-3-10(13)7-11/h2-4,7,9H,5-6,8H2,1H3,(H2,14,15)/t9-/m0/s1
InChIKeyDZKUWSIIMOSMMF-VIFPVBQESA-N
XLogP2.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-5-(4-bromophenoxy)-4-methylpentanamide
CID 167532767
1-bromo-3-[(2S)-3-chloro-2-methylpropoxy]benzene
CID 86611004
(4S)-5-(3-bromo-2-fluorophenoxy)-4-methylpentanamide
CID 167539497
2-methylpropyl 2-(3-bromophenoxy)acetate
CID 142449056
1-bromo-3-[(2R)-2-methoxypropoxy]benzene
CID 130454030
2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103913988
(2R)-1-(3-bromophenoxy)pentan-2-ol
CID 159297241
1-bromo-3-(2-propylpentoxy)benzene
CID 67316784
4-(3-bromophenoxy)-3-hydroxybutanoic acid
CID 82093685
3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861618
3-(3-bromophenoxy)-2-ethoxypropanoic acid
CID 63074820
methyl 2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanoate
CID 60910386

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(3-bromophenoxy)-4-methylpentanamide?
The IUPAC name of (4S)-5-(3-bromophenoxy)-4-methylpentanamide (CID 167563643) is (4S)-5-(3-bromophenoxy)-4-methylpentanamide.
What is the SMILES notation for (4S)-5-(3-bromophenoxy)-4-methylpentanamide?
The canonical SMILES for (4S)-5-(3-bromophenoxy)-4-methylpentanamide is C[C@@H](CCC(N)=O)COc1cccc(Br)c1.
What is the InChIKey of (4S)-5-(3-bromophenoxy)-4-methylpentanamide?
The InChIKey is DZKUWSIIMOSMMF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(5-6-12(14)15)8-16-11-4-2-3-10(13)7-11/h2-4,7,9H,5-6,8H2,1H3,(H2,14,15)/t9-/m0/s1.
What are the key properties of (4S)-5-(3-bromophenoxy)-4-methylpentanamide?
(4S)-5-(3-bromophenoxy)-4-methylpentanamide has a molecular weight of 286.17 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(3-bromophenoxy)-4-methylpentanamide is sourced from PubChem (CID 167563643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).