(2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide

C11H11Cl3N2O3 — CID 8764804

IUPAC(2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3N2O3/c1-5(10(17)16-11(18)15-2)19-9-4-7(13)6(12)3-8(9)14/h3-5H,1-2H3,(H2,15,16,17,18)/t5-/m0/s1
InChIKeyTVDMCIVQZOULQB-YFKPBYRVSA-N
MW325.58 g/mol
LogP2.87
Rot. Bonds3

About (2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide

(2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide (PubChem CID 8764804) has the molecular formula C11H11Cl3N2O3 and a molecular weight of 325.58 g/mol. Its IUPAC name is (2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide
PubChem CID8764804
Molecular FormulaC11H11Cl3N2O3
Molecular Weight325.58 g/mol
Exact Mass323.98
IUPAC Name(2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H11Cl3N2O3/c1-5(10(17)16-11(18)15-2)19-9-4-7(13)6(12)3-8(9)14/h3-5H,1-2H3,(H2,15,16,17,18)/t5-/m0/s1
InChIKeyTVDMCIVQZOULQB-YFKPBYRVSA-N
XLogP2.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.58
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,5-dichlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 40744738
2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 16528137
(2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7382474
(2R)-2-(2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7815932
(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 8709004
(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832796
(2R)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832797
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652
2-(2,4,5-trichlorophenoxy)propanoyl chloride
CID 71363977
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084667
N-(methylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625654

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide?
The IUPAC name of (2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide (CID 8764804) is (2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide is CNC(=O)NC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of (2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide?
The InChIKey is TVDMCIVQZOULQB-YFKPBYRVSA-N. The full InChI is InChI=1S/C11H11Cl3N2O3/c1-5(10(17)16-11(18)15-2)19-9-4-7(13)6(12)3-8(9)14/h3-5H,1-2H3,(H2,15,16,17,18)/t5-/m0/s1.
What are the key properties of (2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide?
(2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide has a molecular weight of 325.58 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide is sourced from PubChem (CID 8764804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).