2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide

C14H17ClN2O2 — CID 63931472

IUPAC2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NC(C#N)C(C)C
InChIInChI=1S/C14H17ClN2O2/c1-9(2)13(8-16)17-14(18)10(3)19-12-6-4-5-11(15)7-12/h4-7,9-10,13H,1-3H3,(H,17,18)
InChIKeyKKXOJEQNPDVIMC-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.77
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide

2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide (PubChem CID 63931472) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide
PubChem CID63931472
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NC(C#N)C(C)C
InChIInChI=1S/C14H17ClN2O2/c1-9(2)13(8-16)17-14(18)10(3)19-12-6-4-5-11(15)7-12/h4-7,9-10,13H,1-3H3,(H,17,18)
InChIKeyKKXOJEQNPDVIMC-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 78780294
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 62227029
N-(1-bromo-3-methylbutan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 114316058
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 2943952
(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 894651
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide
CID 120505567
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide (CID 63931472) is 2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)NC(C#N)C(C)C.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide?
The InChIKey is KKXOJEQNPDVIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9(2)13(8-16)17-14(18)10(3)19-12-6-4-5-11(15)7-12/h4-7,9-10,13H,1-3H3,(H,17,18).
What are the key properties of 2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide?
2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide has a molecular weight of 280.75 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(1-cyano-2-methylpropyl)propanamide is sourced from PubChem (CID 63931472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).