(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide

C15H18ClFN2O2 — CID 7872711

IUPAC(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl
InChIInChI=1S/C15H18ClFN2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(17)7-12(13)16/h5-7,9-10H,1-4H3,(H,19,20)/t10-,15+/m1/s1
InChIKeyBOUCARIRIVVKEC-BMIGLBTASA-N
MW312.77 g/mol
LogP3.30
Rot. Bonds5

About (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide

(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide (PubChem CID 7872711) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide
PubChem CID7872711
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl
InChIInChI=1S/C15H18ClFN2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(17)7-12(13)16/h5-7,9-10H,1-4H3,(H,19,20)/t10-,15+/m1/s1
InChIKeyBOUCARIRIVVKEC-BMIGLBTASA-N
XLogP3.30
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide with MolForge

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 11262655
N-(2-cyano-3-methylbutan-2-yl)-2-(2,3,4-trichlorophenoxy)propanamide
CID 67880923
2-[2-(2-chloro-4-fluorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 119199599
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-diaminophenoxy)propanamide
CID 141161861
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide
CID 119504495
(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(3R)-3-cyanothiolan-3-yl]propanamide
CID 96533567
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120826698
2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 78840990
(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide
CID 96532897
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119434380
(2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide
CID 95284849

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide?
The IUPAC name of (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide (CID 7872711) is (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide?
The canonical SMILES for (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide is CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl.
What is the InChIKey of (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide?
The InChIKey is BOUCARIRIVVKEC-BMIGLBTASA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(17)7-12(13)16/h5-7,9-10H,1-4H3,(H,19,20)/t10-,15+/m1/s1.
What are the key properties of (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide?
(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide has a molecular weight of 312.77 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 7872711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).