methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate

C17H13ClN2O4 — CID 110700432

IUPACmethyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C17H13ClN2O4/c1-24-17(23)10-2-4-12(18)14(7-10)20-16(22)9-3-5-13-11(6-9)8-15(21)19-13/h2-7H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyOQPCUFMVVBCKSX-UHFFFAOYSA-N
MW344.75 g/mol
LogP2.87
Rot. Bonds3

About methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate

methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate (PubChem CID 110700432) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate
PubChem CID110700432
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Namemethyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C17H13ClN2O4/c1-24-17(23)10-2-4-12(18)14(7-10)20-16(22)9-3-5-13-11(6-9)8-15(21)19-13/h2-7H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyOQPCUFMVVBCKSX-UHFFFAOYSA-N
XLogP2.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide
CID 110700473
methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate
CID 28723647
N-(4-chloro-2,5-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24531669
methyl 4-chloro-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoate
CID 60630600
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
dimethyl 5-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzene-1,3-dicarboxylate
CID 108784566
methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate
CID 167934437
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103800042
N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103868642
N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712430
methyl 4-chloro-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
CID 110698334

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate (CID 110700432) is methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2ccc3c(c2)CC(=O)N3)c1.
What is the InChIKey of methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate?
The InChIKey is OQPCUFMVVBCKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-24-17(23)10-2-4-12(18)14(7-10)20-16(22)9-3-5-13-11(6-9)8-15(21)19-13/h2-7H,8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate?
methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate has a molecular weight of 344.75 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 110700432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).