methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate

C19H14ClFN2O4 — CID 113212472

IUPACmethyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cn(C(C)=O)c3ccc(F)cc23)c1
InChIInChI=1S/C19H14ClFN2O4/c1-10(24)23-9-14(13-8-12(21)4-6-17(13)23)18(25)22-16-7-11(19(26)27-2)3-5-15(16)20/h3-9H,1-2H3,(H,22,25)
InChIKeyUSCYZIXOGXZXTQ-UHFFFAOYSA-N
MW388.78 g/mol
LogP4.13
Rot. Bonds3

About methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate

methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate (PubChem CID 113212472) has the molecular formula C19H14ClFN2O4 and a molecular weight of 388.78 g/mol. Its IUPAC name is methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate
PubChem CID113212472
Molecular FormulaC19H14ClFN2O4
Molecular Weight388.78 g/mol
Exact Mass388.06
IUPAC Namemethyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cn(C(C)=O)c3ccc(F)cc23)c1
InChIInChI=1S/C19H14ClFN2O4/c1-10(24)23-9-14(13-8-12(21)4-6-17(13)23)18(25)22-16-7-11(19(26)27-2)3-5-15(16)20/h3-9H,1-2H3,(H,22,25)
InChIKeyUSCYZIXOGXZXTQ-UHFFFAOYSA-N
XLogP4.13
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
CID 113212468
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide
CID 113212446
1-acetyl-N-(3,4-dimethoxyphenyl)-5-fluoroindole-3-carboxamide
CID 113212461
methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
1-acetyl-6-fluoro-N-(2-methoxyphenyl)indole-3-carboxamide
CID 113212988
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate
CID 106852836
methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000016
methyl 4-chloro-3-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 108987036
methyl 2-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]benzoate
CID 113212824
N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 71969035
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate?
The IUPAC name of methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate (CID 113212472) is methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate?
The canonical SMILES for methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2cn(C(C)=O)c3ccc(F)cc23)c1.
What is the InChIKey of methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate?
The InChIKey is USCYZIXOGXZXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O4/c1-10(24)23-9-14(13-8-12(21)4-6-17(13)23)18(25)22-16-7-11(19(26)27-2)3-5-15(16)20/h3-9H,1-2H3,(H,22,25).
What are the key properties of methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate?
methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate has a molecular weight of 388.78 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate is sourced from PubChem (CID 113212472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).