2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide

C12H15BrFNO3 — CID 97240175

IUPAC2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide
SMILESCOC[C@@H](O)CNC(=O)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C12H15BrFNO3/c1-18-7-9(16)6-15-12(17)5-8-2-3-10(13)11(14)4-8/h2-4,9,16H,5-7H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyBTAUURHHDMWJLW-VIFPVBQESA-N
MW320.16 g/mol
LogP1.25
Rot. Bonds6

About 2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide

2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide (PubChem CID 97240175) has the molecular formula C12H15BrFNO3 and a molecular weight of 320.16 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide
PubChem CID97240175
Molecular FormulaC12H15BrFNO3
Molecular Weight320.16 g/mol
Exact Mass319.02
IUPAC Name2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide
SMILESCOC[C@@H](O)CNC(=O)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C12H15BrFNO3/c1-18-7-9(16)6-15-12(17)5-8-2-3-10(13)11(14)4-8/h2-4,9,16H,5-7H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyBTAUURHHDMWJLW-VIFPVBQESA-N
XLogP1.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide
CID 111697663
methyl 3-[[2-(3,4-difluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493208
tert-butyl N-[3-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]propyl]carbamate
CID 176515908
N-[(2S)-2-hydroxy-3-methoxypropyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 97237905
2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 120516212
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
CID 110766984
3-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]-4-methoxy-3-methylbutanoic acid
CID 120532266
2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 65437332
methyl 2-fluoro-4-[[(2-hydroxy-3-methoxypropyl)amino]methyl]benzoate
CID 106700114
2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877038
1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
CID 107636062
N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide
CID 114309938

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide (CID 97240175) is 2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide is COC[C@@H](O)CNC(=O)Cc1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide?
The InChIKey is BTAUURHHDMWJLW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15BrFNO3/c1-18-7-9(16)6-15-12(17)5-8-2-3-10(13)11(14)4-8/h2-4,9,16H,5-7H2,1H3,(H,15,17)/t9-/m0/s1.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide?
2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide has a molecular weight of 320.16 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide is sourced from PubChem (CID 97240175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).