methyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate

C20H19FN2O4 — CID 75538510

IUPACmethyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H19FN2O4/c1-20(2)15-10-14(22-18(25)12-4-6-13(21)7-5-12)8-9-16(15)23(19(20)26)11-17(24)27-3/h4-10H,11H2,1-3H3,(H,22,25)
InChIKeyJLKXZXXLIHURBN-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.88
Rot. Bonds4

About methyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate

methyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate (PubChem CID 75538510) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is methyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
PubChem CID75538510
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Namemethyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H19FN2O4/c1-20(2)15-10-14(22-18(25)12-4-6-13(21)7-5-12)8-9-16(15)23(19(20)26)11-17(24)27-3/h4-10H,11H2,1-3H3,(H,22,25)
InChIKeyJLKXZXXLIHURBN-UHFFFAOYSA-N
XLogP2.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 75538530
methyl 2-[3,3-dimethyl-2-oxo-5-[(2-phenoxyacetyl)amino]indol-1-yl]acetate
CID 75538532
methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 75538513
methyl 2-[5-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 91959309
methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 75538520
methyl 2-[3,3-dimethyl-2-oxo-5-(2-phenoxyethylsulfonylamino)indol-1-yl]acetate
CID 91956260
methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 53057407
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 50767853
(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)thiourea
CID 169359553
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(2,4-difluorophenyl)acetamide
CID 53057392

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The IUPAC name of methyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate (CID 75538510) is methyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate is COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of methyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The InChIKey is JLKXZXXLIHURBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-20(2)15-10-14(22-18(25)12-4-6-13(21)7-5-12)8-9-16(15)23(19(20)26)11-17(24)27-3/h4-10H,11H2,1-3H3,(H,22,25).
What are the key properties of methyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
methyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate has a molecular weight of 370.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 75538510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).