2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide

C14H18BrNO3 — CID 78932641

IUPAC2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide
SMILESCC(Oc1ccc(Br)cc1[C@H](C)O)C(=O)NC1CC1
InChIInChI=1S/C14H18BrNO3/c1-8(17)12-7-10(15)3-6-13(12)19-9(2)14(18)16-11-4-5-11/h3,6-9,11,17H,4-5H2,1-2H3,(H,16,18)/t8-,9?/m0/s1
InChIKeyVHSLPKRFENYRGS-IENPIDJESA-N
MW328.21 g/mol
LogP2.55
Rot. Bonds5

About 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide

2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide (PubChem CID 78932641) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide
PubChem CID78932641
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide
SMILESCC(Oc1ccc(Br)cc1[C@H](C)O)C(=O)NC1CC1
InChIInChI=1S/C14H18BrNO3/c1-8(17)12-7-10(15)3-6-13(12)19-9(2)14(18)16-11-4-5-11/h3,6-9,11,17H,4-5H2,1-2H3,(H,16,18)/t8-,9?/m0/s1
InChIKeyVHSLPKRFENYRGS-IENPIDJESA-N
XLogP2.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide
CID 78933522
2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide
CID 43082992
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide
CID 60905187
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 18106450
N-cyclopropyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide
CID 43503504
N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650924
(2R)-2-(4-bromo-2-fluorophenoxy)-N-(1-butylpiperidin-4-yl)propanamide
CID 95156509
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
(2R)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832797

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide (CID 78932641) is 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide is CC(Oc1ccc(Br)cc1[C@H](C)O)C(=O)NC1CC1.
What is the InChIKey of 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide?
The InChIKey is VHSLPKRFENYRGS-IENPIDJESA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-8(17)12-7-10(15)3-6-13(12)19-9(2)14(18)16-11-4-5-11/h3,6-9,11,17H,4-5H2,1-2H3,(H,16,18)/t8-,9?/m0/s1.
What are the key properties of 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide?
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide has a molecular weight of 328.21 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 78932641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).