2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide

C13H19ClN2O2 — CID 62304828

IUPAC2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O2/c1-4-8(2)16-13(17)9(3)18-12-7-10(14)5-6-11(12)15/h5-9H,4,15H2,1-3H3,(H,16,17)
InChIKeyTYCCGDGJGJGGQI-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.60
Rot. Bonds5

About 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide

2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide (PubChem CID 62304828) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide
PubChem CID62304828
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O2/c1-4-8(2)16-13(17)9(3)18-12-7-10(14)5-6-11(12)15/h5-9H,4,15H2,1-3H3,(H,16,17)
InChIKeyTYCCGDGJGJGGQI-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43324858
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
N-butan-2-yl-2-(4-chloro-2-sulfamoylphenoxy)propanamide
CID 82917275
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide
CID 62305337
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 60718359
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
2-(2-amino-5-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 62304320
2-(2-amino-5-chlorophenyl)sulfinyl-N-butan-2-ylpropanamide
CID 81180397
2-(2-amino-5-chlorophenoxy)-N,N-dimethylpropanamide
CID 62303980
2-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]-N-pentan-2-ylpropanamide
CID 63366584
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7471728
2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide
CID 43381867

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide?
The IUPAC name of 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide (CID 62304828) is 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide?
The canonical SMILES for 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)Oc1cc(Cl)ccc1N.
What is the InChIKey of 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide?
The InChIKey is TYCCGDGJGJGGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-8(2)16-13(17)9(3)18-12-7-10(14)5-6-11(12)15/h5-9H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide?
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide is sourced from PubChem (CID 62304828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).