(2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide

C14H12BrClN2O2 — CID 2225511

IUPAC(2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide
SMILESC[C@H](Oc1ccc(Br)cc1Cl)C(=O)Nc1ccncc1
InChIInChI=1S/C14H12BrClN2O2/c1-9(14(19)18-11-4-6-17-7-5-11)20-13-3-2-10(15)8-12(13)16/h2-9H,1H3,(H,17,18,19)/t9-/m0/s1
InChIKeyMAPQYSWALMKIDP-VIFPVBQESA-N
MW355.62 g/mol
LogP3.90
Rot. Bonds4

About (2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide

(2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide (PubChem CID 2225511) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is (2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide
PubChem CID2225511
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name(2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide
SMILESC[C@H](Oc1ccc(Br)cc1Cl)C(=O)Nc1ccncc1
InChIInChI=1S/C14H12BrClN2O2/c1-9(14(19)18-11-4-6-17-7-5-11)20-13-3-2-10(15)8-12(13)16/h2-9H,1H3,(H,17,18,19)/t9-/m0/s1
InChIKeyMAPQYSWALMKIDP-VIFPVBQESA-N
XLogP3.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2565130
(2R)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-3-ylpropanamide
CID 42561654
4-[[(2R)-2-(4-bromo-2-chlorophenoxy)propanoyl]amino]benzamide
CID 7809676
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
(2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide
CID 38112522
(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 8976471
(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
CID 2638136
methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate
CID 40721204
2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 16528137
(2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7382474
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide?
The IUPAC name of (2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide (CID 2225511) is (2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide.
What is the SMILES notation for (2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide?
The canonical SMILES for (2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide is C[C@H](Oc1ccc(Br)cc1Cl)C(=O)Nc1ccncc1.
What is the InChIKey of (2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide?
The InChIKey is MAPQYSWALMKIDP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-9(14(19)18-11-4-6-17-7-5-11)20-13-3-2-10(15)8-12(13)16/h2-9H,1H3,(H,17,18,19)/t9-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide?
(2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide has a molecular weight of 355.62 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 2225511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).