2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide

C13H17ClN2O3 — CID 42904332

IUPAC2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
SMILESCCC(C)NC(=O)COc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C13H17ClN2O3/c1-3-8(2)16-12(17)7-19-11-5-4-9(14)6-10(11)13(15)18/h4-6,8H,3,7H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyKAOKPRIRQDPVIO-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.73
Rot. Bonds6

About 2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide

2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide (PubChem CID 42904332) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
PubChem CID42904332
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
SMILESCCC(C)NC(=O)COc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C13H17ClN2O3/c1-3-8(2)16-12(17)7-19-11-5-4-9(14)6-10(11)13(15)18/h4-6,8H,3,7H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyKAOKPRIRQDPVIO-UHFFFAOYSA-N
XLogP1.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide 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

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
5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide
CID 46607912
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide
CID 62305337
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
CID 60908333
[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-carbamothioyl-5-chlorophenoxy)-N-pentan-2-ylacetamide
CID 114323209
2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 26217578
5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide
CID 106956198
N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708257

Frequently Asked Questions

What is the IUPAC name of 2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide?
The IUPAC name of 2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide (CID 42904332) is 2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide.
What is the SMILES notation for 2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide?
The canonical SMILES for 2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide is CCC(C)NC(=O)COc1ccc(Cl)cc1C(N)=O.
What is the InChIKey of 2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide?
The InChIKey is KAOKPRIRQDPVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-3-8(2)16-12(17)7-19-11-5-4-9(14)6-10(11)13(15)18/h4-6,8H,3,7H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide?
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide has a molecular weight of 284.74 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide is sourced from PubChem (CID 42904332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).