N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide

C18H14ClFN2O4 — CID 113208188

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)c2c[nH]c3ccc(F)cc23)c(OC)cc1Cl
InChIInChI=1S/C18H14ClFN2O4/c1-25-15-7-14(16(26-2)6-12(15)19)22-18(24)17(23)11-8-21-13-4-3-9(20)5-10(11)13/h3-8,21H,1-2H3,(H,22,24)
InChIKeyBJPSZRYIBPYSDW-UHFFFAOYSA-N
MW376.77 g/mol
LogP3.80
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 113208188) has the molecular formula C18H14ClFN2O4 and a molecular weight of 376.77 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID113208188
Molecular FormulaC18H14ClFN2O4
Molecular Weight376.77 g/mol
Exact Mass376.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)c2c[nH]c3ccc(F)cc23)c(OC)cc1Cl
InChIInChI=1S/C18H14ClFN2O4/c1-25-15-7-14(16(26-2)6-12(15)19)22-18(24)17(23)11-8-21-13-4-3-9(20)5-10(11)13/h3-8,21H,1-2H3,(H,22,24)
InChIKeyBJPSZRYIBPYSDW-UHFFFAOYSA-N
XLogP3.80
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.77
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208892
N-(2,3-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 16764740
2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
CID 113208672
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108532288
N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113204660
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113205749
2-(5-fluoro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 113208101
N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208015
2-(5-fluoro-1H-indol-3-yl)-2-oxo-N-quinolin-8-ylacetamide
CID 113208175
N-cyclopentyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208021
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 8501524

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide (CID 113208188) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide is COc1cc(NC(=O)C(=O)c2c[nH]c3ccc(F)cc23)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is BJPSZRYIBPYSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O4/c1-25-15-7-14(16(26-2)6-12(15)19)22-18(24)17(23)11-8-21-13-4-3-9(20)5-10(11)13/h3-8,21H,1-2H3,(H,22,24).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 376.77 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113208188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).