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

C12H16BrNO2 — CID 167532767

IUPAC(4S)-5-(4-bromophenoxy)-4-methylpentanamide
SMILESC[C@@H](CCC(N)=O)COc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-9(2-7-12(14)15)8-16-11-5-3-10(13)4-6-11/h3-6,9H,2,7-8H2,1H3,(H2,14,15)/t9-/m0/s1
InChIKeyQWZBKWGYKKHARW-VIFPVBQESA-N
MW286.17 g/mol
LogP2.73
Rot. Bonds6

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

(4S)-5-(4-bromophenoxy)-4-methylpentanamide (PubChem CID 167532767) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is (4S)-5-(4-bromophenoxy)-4-methylpentanamide.

Molecular Properties

Compound Name(4S)-5-(4-bromophenoxy)-4-methylpentanamide
PubChem CID167532767
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name(4S)-5-(4-bromophenoxy)-4-methylpentanamide
SMILESC[C@@H](CCC(N)=O)COc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-9(2-7-12(14)15)8-16-11-5-3-10(13)4-6-11/h3-6,9H,2,7-8H2,1H3,(H2,14,15)/t9-/m0/s1
InChIKeyQWZBKWGYKKHARW-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-(3-bromo-2-fluorophenoxy)-4-methylpentanamide
CID 167539497
propan-2-yl 4-(4-bromophenoxy)-2,3-dimethylbutanoate
CID 146594299
2-amino-3-(4-bromophenoxy)propanoic acid
CID 65443957
4-(4-bromophenoxy)butan-2-ol
CID 112686550
2-[4-(4-bromophenyl)phenoxy]acetamide
CID 7949184
4-[3-(4-bromoanilino)-2-methylpropoxy]benzoic acid
CID 14882907
3-(4-bromophenoxy)-N-(2-methylpropoxy)propanamide
CID 115409803
3-[[2-(4-bromophenoxy)acetyl]amino]propanamide
CID 122142658
2-amino-5-(2-methylpentoxy)benzamide
CID 103284498
[(2S)-2-(4-bromophenyl)propyl] carbamate
CID 175558973
1-bromo-4-[(4S)-4-methylhexoxy]benzene
CID 14692508
[(2S)-1-amino-1-oxopropan-2-yl]-[2-(4-bromophenoxy)ethyl]-methylazanium
CID 8842341

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(4-bromophenoxy)-4-methylpentanamide?
The IUPAC name of (4S)-5-(4-bromophenoxy)-4-methylpentanamide (CID 167532767) is (4S)-5-(4-bromophenoxy)-4-methylpentanamide.
What is the SMILES notation for (4S)-5-(4-bromophenoxy)-4-methylpentanamide?
The canonical SMILES for (4S)-5-(4-bromophenoxy)-4-methylpentanamide is C[C@@H](CCC(N)=O)COc1ccc(Br)cc1.
What is the InChIKey of (4S)-5-(4-bromophenoxy)-4-methylpentanamide?
The InChIKey is QWZBKWGYKKHARW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(2-7-12(14)15)8-16-11-5-3-10(13)4-6-11/h3-6,9H,2,7-8H2,1H3,(H2,14,15)/t9-/m0/s1.
What are the key properties of (4S)-5-(4-bromophenoxy)-4-methylpentanamide?
(4S)-5-(4-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-(4-bromophenoxy)-4-methylpentanamide is sourced from PubChem (CID 167532767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).