(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide

C11H13BrFNO2 — CID 97181612

IUPAC(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
SMILESC[C@@H](Br)C(=O)NC[C@H](O)c1ccccc1F
InChIInChI=1S/C11H13BrFNO2/c1-7(12)11(16)14-6-10(15)8-4-2-3-5-9(8)13/h2-5,7,10,15H,6H2,1H3,(H,14,16)/t7-,10+/m1/s1
InChIKeyKBNZQKMZGOWDCT-XCBNKYQSSA-N
MW290.13 g/mol
LogP1.76
Rot. Bonds4

About (2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide

(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide (PubChem CID 97181612) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is (2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
PubChem CID97181612
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
SMILESC[C@@H](Br)C(=O)NC[C@H](O)c1ccccc1F
InChIInChI=1S/C11H13BrFNO2/c1-7(12)11(16)14-6-10(15)8-4-2-3-5-9(8)13/h2-5,7,10,15H,6H2,1H3,(H,14,16)/t7-,10+/m1/s1
InChIKeyKBNZQKMZGOWDCT-XCBNKYQSSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide
CID 111451334
N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
CID 54953469
3-(3-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 109478347
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide
CID 54950525
(2R)-2-bromo-N-[(2S)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide
CID 97181646
(2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide
CID 97181643
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893413
3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide
CID 111437226
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 110895529
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide?
The IUPAC name of (2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide (CID 97181612) is (2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide.
What is the SMILES notation for (2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide?
The canonical SMILES for (2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide is C[C@@H](Br)C(=O)NC[C@H](O)c1ccccc1F.
What is the InChIKey of (2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide?
The InChIKey is KBNZQKMZGOWDCT-XCBNKYQSSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-7(12)11(16)14-6-10(15)8-4-2-3-5-9(8)13/h2-5,7,10,15H,6H2,1H3,(H,14,16)/t7-,10+/m1/s1.
What are the key properties of (2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide?
(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide has a molecular weight of 290.13 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide is sourced from PubChem (CID 97181612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).