(2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide

C15H19BrFNO2 — CID 97181643

IUPAC(2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide
SMILESC[C@H](Br)C(=O)NC[C@H](OCC1CC1)c1ccccc1F
InChIInChI=1S/C15H19BrFNO2/c1-10(16)15(19)18-8-14(20-9-11-6-7-11)12-4-2-3-5-13(12)17/h2-5,10-11,14H,6-9H2,1H3,(H,18,19)/t10-,14-/m0/s1
InChIKeyGQXCQUKGJJGJFG-HZMBPMFUSA-N
MW344.22 g/mol
LogP3.19
Rot. Bonds7

About (2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide

(2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide (PubChem CID 97181643) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is (2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide
PubChem CID97181643
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Name(2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide
SMILESC[C@H](Br)C(=O)NC[C@H](OCC1CC1)c1ccccc1F
InChIInChI=1S/C15H19BrFNO2/c1-10(16)15(19)18-8-14(20-9-11-6-7-11)12-4-2-3-5-13(12)17/h2-5,10-11,14H,6-9H2,1H3,(H,18,19)/t10-,14-/m0/s1
InChIKeyGQXCQUKGJJGJFG-HZMBPMFUSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-bromo-N-[(2S)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide
CID 97181646
2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide
CID 102548633
(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612
2-(2-fluorophenyl)-N-methyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 62110742
2-(2-cyclopropylethoxy)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 114157889
1-(cyclohexylmethoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62383305
1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one
CID 43799215
4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565689
N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62108277
3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid
CID 115731415
4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
CID 98309633
2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
CID 111451344

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide (CID 97181643) is (2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide is C[C@H](Br)C(=O)NC[C@H](OCC1CC1)c1ccccc1F.
What is the InChIKey of (2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is GQXCQUKGJJGJFG-HZMBPMFUSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-10(16)15(19)18-8-14(20-9-11-6-7-11)12-4-2-3-5-13(12)17/h2-5,10-11,14H,6-9H2,1H3,(H,18,19)/t10-,14-/m0/s1.
What are the key properties of (2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide?
(2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide has a molecular weight of 344.22 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 97181643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).