(2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide

C16H17BrN2O2 — CID 124849874

IUPAC(2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide
SMILESC[C@H](C(=O)NCCOc1cccc(Br)c1)c1ccccn1
InChIInChI=1S/C16H17BrN2O2/c1-12(15-7-2-3-8-18-15)16(20)19-9-10-21-14-6-4-5-13(17)11-14/h2-8,11-12H,9-10H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyPORZVKJTMFFQKR-LBPRGKRZSA-N
MW349.23 g/mol
LogP3.14
Rot. Bonds6

About (2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide

(2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide (PubChem CID 124849874) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is (2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide
PubChem CID124849874
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name(2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide
SMILESC[C@H](C(=O)NCCOc1cccc(Br)c1)c1ccccn1
InChIInChI=1S/C16H17BrN2O2/c1-12(15-7-2-3-8-18-15)16(20)19-9-10-21-14-6-4-5-13(17)11-14/h2-8,11-12H,9-10H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyPORZVKJTMFFQKR-LBPRGKRZSA-N
XLogP3.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine
CID 60694300
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
CID 120987025
1-[2-(3-bromophenoxy)ethyl]-3-propan-2-ylurea
CID 47329489
1-[2-(3-bromophenoxy)ethyl]-3-propylurea
CID 47130861
(2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide
CID 119321908
N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide
CID 30764659
1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
CID 163538279
3-(3-bromophenoxy)propylcarbamic acid
CID 69086482
N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide
CID 55919722
(2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide
CID 94027199
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
1-[2-(3-bromophenoxy)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110969100

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide?
The IUPAC name of (2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide (CID 124849874) is (2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide is C[C@H](C(=O)NCCOc1cccc(Br)c1)c1ccccn1.
What is the InChIKey of (2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide?
The InChIKey is PORZVKJTMFFQKR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-12(15-7-2-3-8-18-15)16(20)19-9-10-21-14-6-4-5-13(17)11-14/h2-8,11-12H,9-10H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide?
(2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide has a molecular weight of 349.23 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide is sourced from PubChem (CID 124849874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).