2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide

C15H19ClN2O2 — CID 60720963

IUPAC2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-10(2)6-7-18-15(19)11(3)20-14-5-4-12(9-17)8-13(14)16/h4-5,8,10-11H,6-7H2,1-3H3,(H,18,19)
InChIKeyCKUDUGPCFSLFNX-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.14
Rot. Bonds6

About 2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide

2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide (PubChem CID 60720963) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide
PubChem CID60720963
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-10(2)6-7-18-15(19)11(3)20-14-5-4-12(9-17)8-13(14)16/h4-5,8,10-11H,6-7H2,1-3H3,(H,18,19)
InChIKeyCKUDUGPCFSLFNX-UHFFFAOYSA-N
XLogP3.14
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112203
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide
CID 60667398
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide
CID 9384048
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528
(2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 9384043
(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 8976471
2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 115279930
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9383986
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-methylphenyl)propanamide
CID 8976723
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9383960

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide (CID 60720963) is 2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Oc1ccc(C#N)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide?
The InChIKey is CKUDUGPCFSLFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10(2)6-7-18-15(19)11(3)20-14-5-4-12(9-17)8-13(14)16/h4-5,8,10-11H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide?
2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide has a molecular weight of 294.78 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 60720963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).