(2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide

C14H17ClN2O2 — CID 95284849

IUPAC(2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide
SMILESCC[C@](C)(C#N)NC(=O)[C@@H](C)Oc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-4-14(3,9-16)17-13(18)10(2)19-12-8-6-5-7-11(12)15/h5-8,10H,4H2,1-3H3,(H,17,18)/t10-,14-/m1/s1
InChIKeyRNBMYWOCGNVEGR-QMTHXVAHSA-N
MW280.75 g/mol
LogP2.92
Rot. Bonds5

About (2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide

(2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide (PubChem CID 95284849) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide
PubChem CID95284849
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide
SMILESCC[C@](C)(C#N)NC(=O)[C@@H](C)Oc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-4-14(3,9-16)17-13(18)10(2)19-12-8-6-5-7-11(12)15/h5-8,10H,4H2,1-3H3,(H,17,18)/t10-,14-/m1/s1
InChIKeyRNBMYWOCGNVEGR-QMTHXVAHSA-N
XLogP2.92
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide
CID 103895634
2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 114322624
2-(2-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114505
2-[2-(2,3-dichlorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 119199788
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
CID 115636700
(2S,3S)-2-[2-(2-chlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 61137417
(2R)-2-(2-chlorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 2631962
2-(2-chlorophenoxy)pentan-3-one
CID 64866523
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 47393625
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide
CID 7872711

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide (CID 95284849) is (2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide is CC[C@](C)(C#N)NC(=O)[C@@H](C)Oc1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide?
The InChIKey is RNBMYWOCGNVEGR-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-4-14(3,9-16)17-13(18)10(2)19-12-8-6-5-7-11(12)15/h5-8,10H,4H2,1-3H3,(H,17,18)/t10-,14-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide?
(2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide has a molecular weight of 280.75 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide is sourced from PubChem (CID 95284849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).