methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate

C21H20ClN3O4 — CID 55964473

IUPACmethyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2c(Cl)c3ccccc3n2C)cc1
InChIInChI=1S/C21H20ClN3O4/c1-25-16-6-4-3-5-15(16)19(22)20(25)21(28)24-14-9-7-13(8-10-14)11-17(26)23-12-18(27)29-2/h3-10H,11-12H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyXESVPHRGHBMSCJ-UHFFFAOYSA-N
MW413.86 g/mol
LogP2.92
Rot. Bonds6

About methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate

methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate (PubChem CID 55964473) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate
PubChem CID55964473
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC Namemethyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2c(Cl)c3ccccc3n2C)cc1
InChIInChI=1S/C21H20ClN3O4/c1-25-16-6-4-3-5-15(16)19(22)20(25)21(28)24-14-9-7-13(8-10-14)11-17(26)23-12-18(27)29-2/h3-10H,11-12H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyXESVPHRGHBMSCJ-UHFFFAOYSA-N
XLogP2.92
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate with MolForge

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Related Compounds

3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide
CID 110900786
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
CID 27682247
N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204429
3-chloro-N-(4-hydroxy-2-methylpentyl)-1-methylindole-2-carboxamide
CID 111447034
methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55781667
3-methoxy-1-methyl-N-(4-methylphenyl)indole-2-carboxamide
CID 14210891
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride
CID 119711546
methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55781823
methyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55964481
methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55781819
3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide
CID 55665946

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate (CID 55964473) is methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate is COC(=O)CNC(=O)Cc1ccc(NC(=O)c2c(Cl)c3ccccc3n2C)cc1.
What is the InChIKey of methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
The InChIKey is XESVPHRGHBMSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c1-25-16-6-4-3-5-15(16)19(22)20(25)21(28)24-14-9-7-13(8-10-14)11-17(26)23-12-18(27)29-2/h3-10H,11-12H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate has a molecular weight of 413.86 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate is sourced from PubChem (CID 55964473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).