N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide

C14H14ClFN2O3 — CID 61360256

IUPACN-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)C(=O)c2c(Cl)ccc(F)c21
InChIInChI=1S/C14H14ClFN2O3/c1-3-7(2)17-10(19)6-18-12-9(16)5-4-8(15)11(12)13(20)14(18)21/h4-5,7H,3,6H2,1-2H3,(H,17,19)
InChIKeyHJBOWNQRYSHEIY-UHFFFAOYSA-N
MW312.73 g/mol
LogP1.92
Rot. Bonds4

About N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide

N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide (PubChem CID 61360256) has the molecular formula C14H14ClFN2O3 and a molecular weight of 312.73 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide
PubChem CID61360256
Molecular FormulaC14H14ClFN2O3
Molecular Weight312.73 g/mol
Exact Mass312.07
IUPAC NameN-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)C(=O)c2c(Cl)ccc(F)c21
InChIInChI=1S/C14H14ClFN2O3/c1-3-7(2)17-10(19)6-18-12-9(16)5-4-8(15)11(12)13(20)14(18)21/h4-5,7H,3,6H2,1-2H3,(H,17,19)
InChIKeyHJBOWNQRYSHEIY-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide
CID 61357562
4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione
CID 61359084
1-butyl-4-chloro-7-fluoroindole-2,3-dione
CID 61358887
1-[2-(bromomethyl)butyl]-4-chloro-7-fluoroindole-2,3-dione
CID 64995254
2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
CID 106988780
3-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanoic acid
CID 79629370
4-chloro-1-(2,3-dihydroxypropyl)-7-fluoroindole-2,3-dione
CID 82851176
N-butan-2-yl-2-(4,6-dimethyl-2,3-dioxoindol-1-yl)acetamide
CID 61355443
1-(2-butoxyethyl)-4-chloro-7-fluoroindole-2,3-dione
CID 61483159
N-[(2R)-butan-2-yl]-2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2705949
N-[(2S)-butan-2-yl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2705946
4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 61358305

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide (CID 61360256) is N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide is CCC(C)NC(=O)CN1C(=O)C(=O)c2c(Cl)ccc(F)c21.
What is the InChIKey of N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide?
The InChIKey is HJBOWNQRYSHEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O3/c1-3-7(2)17-10(19)6-18-12-9(16)5-4-8(15)11(12)13(20)14(18)21/h4-5,7H,3,6H2,1-2H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide?
N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide has a molecular weight of 312.73 g/mol, XLogP of 1.92, 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-7-fluoro-2,3-dioxoindol-1-yl)acetamide is sourced from PubChem (CID 61360256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).