3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide

C12H16BrNO2 — CID 83029524

IUPAC3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide
SMILESC[C@H](O)CNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-9(15)8-14-12(16)6-5-10-3-2-4-11(13)7-10/h2-4,7,9,15H,5-6,8H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyYTXINLXCVNAQCM-VIFPVBQESA-N
MW286.17 g/mol
LogP1.88
Rot. Bonds5

About 3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide

3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide (PubChem CID 83029524) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide
PubChem CID83029524
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide
SMILESC[C@H](O)CNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-9(15)8-14-12(16)6-5-10-3-2-4-11(13)7-10/h2-4,7,9,15H,5-6,8H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyYTXINLXCVNAQCM-VIFPVBQESA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-aminobutyl)-3-(3-bromophenyl)propanamide
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N-[(3-bromophenyl)methyl]-4-hydroxypentanamide
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3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide
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3-[3-(3-bromophenyl)propanoylamino]propanoic acid
CID 43240494
1-(3-bromophenyl)-4-methylpentan-3-one
CID 43175847
2-[[2-[3-(3-bromophenyl)propanoylamino]acetyl]amino]acetic acid
CID 43387616
3-[3-(3-bromophenyl)propanoylamino]-2-methylbutanoic acid
CID 113415870
3-(3-bromophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide (CID 83029524) is 3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide is C[C@H](O)CNC(=O)CCc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide?
The InChIKey is YTXINLXCVNAQCM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(15)8-14-12(16)6-5-10-3-2-4-11(13)7-10/h2-4,7,9,15H,5-6,8H2,1H3,(H,14,16)/t9-/m0/s1.
What are the key properties of 3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide?
3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide has a molecular weight of 286.17 g/mol, XLogP of 1.88, 5 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)-2-hydroxypropyl]propanamide is sourced from PubChem (CID 83029524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).