(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide

C12H15ClN2O3 — CID 8709004

IUPAC(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C12H15ClN2O3/c1-7-6-9(13)4-5-10(7)18-8(2)11(16)15-12(17)14-3/h4-6,8H,1-3H3,(H2,14,15,16,17)/t8-/m1/s1
InChIKeyLWATUBDLPYUGKK-MRVPVSSYSA-N
MW270.72 g/mol
LogP1.87
Rot. Bonds3

About (2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide

(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide (PubChem CID 8709004) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
PubChem CID8709004
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C12H15ClN2O3/c1-7-6-9(13)4-5-10(7)18-8(2)11(16)15-12(17)14-3/h4-6,8H,1-3H3,(H2,14,15,16,17)/t8-/m1/s1
InChIKeyLWATUBDLPYUGKK-MRVPVSSYSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,5-dichlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 40744738
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
N-(methylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625654
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 16528137
(2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7382474
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
(2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 8764804
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide (CID 8709004) is (2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C.
What is the InChIKey of (2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide?
The InChIKey is LWATUBDLPYUGKK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-7-6-9(13)4-5-10(7)18-8(2)11(16)15-12(17)14-3/h4-6,8H,1-3H3,(H2,14,15,16,17)/t8-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide?
(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide has a molecular weight of 270.72 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 8709004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).