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

C12H17ClN2O2 — CID 62305337

IUPAC2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2/c1-3-8(2)15-12(16)7-17-11-6-9(13)4-5-10(11)14/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyOVCHJQSEGYVDRQ-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.22
Rot. Bonds5

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

2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide (PubChem CID 62305337) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide
PubChem CID62305337
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2/c1-3-8(2)15-12(16)7-17-11-6-9(13)4-5-10(11)14/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyOVCHJQSEGYVDRQ-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide 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

4-amino-3-[2-(butan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43379904
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
CID 60908333
N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708257
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7471728
2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
CID 7167702
methyl 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-5-chlorobenzoate
CID 94172138
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide
CID 62304828
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2621932
N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide
CID 43277958
2-(2-amino-4-methylphenoxy)-N-butan-2-ylacetamide
CID 61311273

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide?
The IUPAC name of 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide (CID 62305337) is 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1cc(Cl)ccc1N.
What is the InChIKey of 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide?
The InChIKey is OVCHJQSEGYVDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-8(2)15-12(16)7-17-11-6-9(13)4-5-10(11)14/h4-6,8H,3,7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide?
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide has a molecular weight of 256.73 g/mol, XLogP of 2.22, 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-ylacetamide is sourced from PubChem (CID 62305337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).