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

C11H13ClN2O3 — CID 8709006

IUPAC(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)NC(N)=O
InChIInChI=1S/C11H13ClN2O3/c1-6-5-8(12)3-4-9(6)17-7(2)10(15)14-11(13)16/h3-5,7H,1-2H3,(H3,13,14,15,16)/t7-/m1/s1
InChIKeySRMVRWGAKQQQTE-SSDOTTSWSA-N
MW256.69 g/mol
LogP1.61
Rot. Bonds3

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

(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide (PubChem CID 8709006) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
PubChem CID8709006
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)NC(N)=O
InChIInChI=1S/C11H13ClN2O3/c1-6-5-8(12)3-4-9(6)17-7(2)10(15)14-11(13)16/h3-5,7H,1-2H3,(H3,13,14,15,16)/t7-/m1/s1
InChIKeySRMVRWGAKQQQTE-SSDOTTSWSA-N
XLogP1.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 8709004
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide
CID 60623246
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate
CID 47494461
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
N-(2-amino-2-oxo-1-phenylethyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 51315223
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 81047647

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide (CID 8709006) is (2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide is Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC(N)=O.
What is the InChIKey of (2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide?
The InChIKey is SRMVRWGAKQQQTE-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-6-5-8(12)3-4-9(6)17-7(2)10(15)14-11(13)16/h3-5,7H,1-2H3,(H3,13,14,15,16)/t7-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide?
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide has a molecular weight of 256.69 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide is sourced from PubChem (CID 8709006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).