N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide

C17H17BrFNO2 — CID 110291633

IUPACN-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
SMILESCC(O)(CNC(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrFNO2/c1-17(22,13-4-6-14(18)7-5-13)11-20-16(21)10-12-2-8-15(19)9-3-12/h2-9,22H,10-11H2,1H3,(H,20,21)
InChIKeyDXBQTGMGKWOAAW-UHFFFAOYSA-N
MW366.23 g/mol
LogP3.15
Rot. Bonds5

About N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide

N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide (PubChem CID 110291633) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
PubChem CID110291633
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC NameN-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
SMILESCC(O)(CNC(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrFNO2/c1-17(22,13-4-6-14(18)7-5-13)11-20-16(21)10-12-2-8-15(19)9-3-12/h2-9,22H,10-11H2,1H3,(H,20,21)
InChIKeyDXBQTGMGKWOAAW-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
4-[2-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]-2-oxoethyl]thiophene-2-carboxylic acid
CID 166289697
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 71683994
2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568
2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 110663977
4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 110308987
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
CID 99979902
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
4-bromo-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzamide
CID 11291032
2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
CID 110629981
ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate
CID 110291402
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982952

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide (CID 110291633) is N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide is CC(O)(CNC(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is DXBQTGMGKWOAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-17(22,13-4-6-14(18)7-5-13)11-20-16(21)10-12-2-8-15(19)9-3-12/h2-9,22H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide?
N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 366.23 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110291633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).