N-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide

C14H19BrFNO3 — CID 126454758

IUPACN-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFNO3/c1-2-20-9-14(19)17-7-10(8-18)5-11-6-12(15)3-4-13(11)16/h3-4,6,10,18H,2,5,7-9H2,1H3,(H,17,19)/t10-/m1/s1
InChIKeyYUVWGCCBFXBCHM-SNVBAGLBSA-N
MW348.21 g/mol
LogP1.89
Rot. Bonds8

About N-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide

N-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide (PubChem CID 126454758) has the molecular formula C14H19BrFNO3 and a molecular weight of 348.21 g/mol. Its IUPAC name is N-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide
PubChem CID126454758
Molecular FormulaC14H19BrFNO3
Molecular Weight348.21 g/mol
Exact Mass347.05
IUPAC NameN-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFNO3/c1-2-20-9-14(19)17-7-10(8-18)5-11-6-12(15)3-4-13(11)16/h3-4,6,10,18H,2,5,7-9H2,1H3,(H,17,19)/t10-/m1/s1
InChIKeyYUVWGCCBFXBCHM-SNVBAGLBSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide
CID 126827192
2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol
CID 66059383
2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol
CID 66037391
ethyl 2-bromo-3-(5-bromo-2-fluorophenyl)propanoate
CID 83197556
N-[(5-bromo-2-fluorophenyl)methyl]-4-ethoxybutanamide
CID 112728062
ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate
CID 110792453
N-[(5-bromo-2-fluorophenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186586
4-(5-bromo-2-fluorophenyl)-3-methylbutan-2-one
CID 60996788
3-(5-bromo-2-fluorophenyl)-1,1-diethoxypropan-2-ol
CID 79495370
1-(5-bromo-2-fluorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105131796
[2-(2-methylpropylamino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387877
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide?
The IUPAC name of N-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide (CID 126454758) is N-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide?
The canonical SMILES for N-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide is CCOCC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F.
What is the InChIKey of N-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide?
The InChIKey is YUVWGCCBFXBCHM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19BrFNO3/c1-2-20-9-14(19)17-7-10(8-18)5-11-6-12(15)3-4-13(11)16/h3-4,6,10,18H,2,5,7-9H2,1H3,(H,17,19)/t10-/m1/s1.
What are the key properties of N-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide?
N-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide has a molecular weight of 348.21 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide is sourced from PubChem (CID 126454758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).