(2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide

C11H12BrClN2O3 — CID 7382474

IUPAC(2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C11H12BrClN2O3/c1-6(10(16)15-11(17)14-2)18-9-4-3-7(12)5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17)/t6-/m0/s1
InChIKeyZSHDTPYDELOSHS-LURJTMIESA-N
MW335.59 g/mol
LogP2.33
Rot. Bonds3

About (2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide

(2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide (PubChem CID 7382474) has the molecular formula C11H12BrClN2O3 and a molecular weight of 335.59 g/mol. Its IUPAC name is (2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
PubChem CID7382474
Molecular FormulaC11H12BrClN2O3
Molecular Weight335.59 g/mol
Exact Mass333.97
IUPAC Name(2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C11H12BrClN2O3/c1-6(10(16)15-11(17)14-2)18-9-4-3-7(12)5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17)/t6-/m0/s1
InChIKeyZSHDTPYDELOSHS-LURJTMIESA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.59
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 16528137
(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
CID 2638136
(2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 8764804
(2R)-2-(2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7815932
2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43277501
methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate
CID 40721204
(2S)-2-(2,5-dichlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 40744738
(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 8709004
methyl 3-bromo-4-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate
CID 25467110
(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2565130
(2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide
CID 2225511
(2S)-2-(4-bromo-2-chlorophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 8752841

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide (CID 7382474) is (2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@H](C)Oc1ccc(Br)cc1Cl.
What is the InChIKey of (2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide?
The InChIKey is ZSHDTPYDELOSHS-LURJTMIESA-N. The full InChI is InChI=1S/C11H12BrClN2O3/c1-6(10(16)15-11(17)14-2)18-9-4-3-7(12)5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17)/t6-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide?
(2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide has a molecular weight of 335.59 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 7382474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).