3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide

C14H20BrNO2 — CID 79252822

IUPAC3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@H](CO)NC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-10(2)13(9-17)16-14(18)7-6-11-4-3-5-12(15)8-11/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyGBGYYIVSJQWTMI-CYBMUJFWSA-N
MW314.22 g/mol
LogP2.51
Rot. Bonds6

About 3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide

3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide (PubChem CID 79252822) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
PubChem CID79252822
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@H](CO)NC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-10(2)13(9-17)16-14(18)7-6-11-4-3-5-12(15)8-11/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyGBGYYIVSJQWTMI-CYBMUJFWSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[3-(3-bromophenyl)propanoylamino]-3-methylbutanoate
CID 43404120
3-[3-(3-bromophenyl)propanoylamino]-2-methylbutanoic acid
CID 113415870
3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029524
N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65192905
1-(3-bromophenyl)-4-methylpentan-3-one
CID 43175847
2-[4-(3-bromophenyl)butanoylamino]-3-methylbutanamide
CID 75380677
N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 79256223
N-(3-aminobutyl)-3-(3-bromophenyl)propanamide
CID 119497411
(2R)-4-amino-2-[3-(3-bromophenyl)propanoylamino]-4-oxobutanoic acid
CID 107821024
3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855882
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide
CID 79253237
3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653201

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide (CID 79252822) is 3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide is CC(C)[C@@H](CO)NC(=O)CCc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The InChIKey is GBGYYIVSJQWTMI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(2)13(9-17)16-14(18)7-6-11-4-3-5-12(15)8-11/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of 3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide has a molecular weight of 314.22 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 79252822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).