N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide

C14H15ClN2O3 — CID 61357562

IUPACN-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C14H15ClN2O3/c1-3-8(2)16-11(18)7-17-10-6-4-5-9(15)12(10)13(19)14(17)20/h4-6,8H,3,7H2,1-2H3,(H,16,18)
InChIKeyUGPOWNMGQLWXGV-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.78
Rot. Bonds4

About N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide

N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide (PubChem CID 61357562) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide
PubChem CID61357562
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC NameN-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)C(=O)c2c(Cl)cccc21
InChIInChI=1S/C14H15ClN2O3/c1-3-8(2)16-11(18)7-17-10-6-4-5-9(15)12(10)13(19)14(17)20/h4-6,8H,3,7H2,1-2H3,(H,16,18)
InChIKeyUGPOWNMGQLWXGV-UHFFFAOYSA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide 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-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide
CID 63580023
N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide
CID 61360256
methyl 2-(4-chloro-2,3-dioxoindol-1-yl)acetate
CID 61359306
N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide
CID 61355443
4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61357751
2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide
CID 61358149
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 7819698
N-butan-2-yl-2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetamide
CID 156601400
N-[(2S)-butan-2-yl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702159
N-butan-2-yl-2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4799733
4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione
CID 61357943
4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione
CID 61357369

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide (CID 61357562) is N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide is CCC(C)NC(=O)CN1C(=O)C(=O)c2c(Cl)cccc21.
What is the InChIKey of N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide?
The InChIKey is UGPOWNMGQLWXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-3-8(2)16-11(18)7-17-10-6-4-5-9(15)12(10)13(19)14(17)20/h4-6,8H,3,7H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide?
N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide has a molecular weight of 294.74 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide is sourced from PubChem (CID 61357562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).