2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide

C15H19ClN2O2 — CID 114322624

IUPAC2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1cccc(Cl)c1C#N
InChIInChI=1S/C15H19ClN2O2/c1-5-15(3,4)18-14(19)10(2)20-13-8-6-7-12(16)11(13)9-17/h6-8,10H,5H2,1-4H3,(H,18,19)
InChIKeyQLXCJFOZFBBMFU-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.28
Rot. Bonds5

About 2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide

2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 114322624) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide
PubChem CID114322624
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1cccc(Cl)c1C#N
InChIInChI=1S/C15H19ClN2O2/c1-5-15(3,4)18-14(19)10(2)20-13-8-6-7-12(16)11(13)9-17/h6-8,10H,5H2,1-4H3,(H,18,19)
InChIKeyQLXCJFOZFBBMFU-UHFFFAOYSA-N
XLogP3.28
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide
CID 113277246
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 114321631
methyl 2-(3-chloro-2-cyanophenoxy)propanoate
CID 114322384
(2R)-2-(2-chlorophenoxy)-N-[(2R)-2-cyanobutan-2-yl]propanamide
CID 95284849
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 115956300
2-(3-chloro-2-cyanophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 114322470
2-[2-(2,3-dichlorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 119199788
2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 107497904
2-chloro-6-pentan-3-yloxybenzonitrile
CID 114322513
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 43279519
ethyl 2-(3-chloro-2-cyanophenoxy)pentanoate
CID 83037631
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide (CID 114322624) is 2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Oc1cccc(Cl)c1C#N.
What is the InChIKey of 2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is QLXCJFOZFBBMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-5-15(3,4)18-14(19)10(2)20-13-8-6-7-12(16)11(13)9-17/h6-8,10H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide?
2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 294.78 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 114322624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).