2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide

C13H15ClN2O2 — CID 113277246

IUPAC2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1cccc(Cl)c1C#N
InChIInChI=1S/C13H15ClN2O2/c1-8(2)16-13(17)9(3)18-12-6-4-5-11(14)10(12)7-15/h4-6,8-9H,1-3H3,(H,16,17)
InChIKeyDZMSNFPFVROABM-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.50
Rot. Bonds4

About 2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide

2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide (PubChem CID 113277246) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide
PubChem CID113277246
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1cccc(Cl)c1C#N
InChIInChI=1S/C13H15ClN2O2/c1-8(2)16-13(17)9(3)18-12-6-4-5-11(14)10(12)7-15/h4-6,8-9H,1-3H3,(H,16,17)
InChIKeyDZMSNFPFVROABM-UHFFFAOYSA-N
XLogP2.50
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(3-chloro-2-cyanophenoxy)propanoate
CID 114322384
2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 114322624
2-chloro-6-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 114320340
2-(3-chloro-2-cyanophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 114322470
2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 114318673
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
CID 113276915
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
CID 114321561
2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid
CID 114322405
2-chloro-6-pentan-3-yloxybenzonitrile
CID 114322513
methyl 2-(3-chloro-2-cyanophenoxy)-2-cyclopropylacetate
CID 114322408
N-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide
CID 42990430
ethyl 2-(3-chloro-2-cyanophenoxy)pentanoate
CID 83037631

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide (CID 113277246) is 2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Oc1cccc(Cl)c1C#N.
What is the InChIKey of 2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide?
The InChIKey is DZMSNFPFVROABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8(2)16-13(17)9(3)18-12-6-4-5-11(14)10(12)7-15/h4-6,8-9H,1-3H3,(H,16,17).
What are the key properties of 2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide?
2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide has a molecular weight of 266.73 g/mol, XLogP of 2.50, 4 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-propan-2-ylpropanamide is sourced from PubChem (CID 113277246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).