tert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate

C18H21ClF3N3O4 — CID 57261215

IUPACtert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1c2ccc(Cl)cc2C[C@@H]1C(=O)NCC(F)(F)F
InChIInChI=1S/C18H21ClF3N3O4/c1-17(2,3)29-16(28)23-8-14(26)25-12-5-4-11(19)6-10(12)7-13(25)15(27)24-9-18(20,21)22/h4-6,13H,7-9H2,1-3H3,(H,23,28)(H,24,27)/t13-/m1/s1
InChIKeyVOUBCQNGVXVCSR-CYBMUJFWSA-N
MW435.83 g/mol
LogP2.80
Rot. Bonds4

About tert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate (PubChem CID 57261215) has the molecular formula C18H21ClF3N3O4 and a molecular weight of 435.83 g/mol. Its IUPAC name is tert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
PubChem CID57261215
Molecular FormulaC18H21ClF3N3O4
Molecular Weight435.83 g/mol
Exact Mass435.12
IUPAC Nametert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1c2ccc(Cl)cc2C[C@@H]1C(=O)NCC(F)(F)F
InChIInChI=1S/C18H21ClF3N3O4/c1-17(2,3)29-16(28)23-8-14(26)25-12-5-4-11(19)6-10(12)7-13(25)15(27)24-9-18(20,21)22/h4-6,13H,7-9H2,1-3H3,(H,23,28)(H,24,27)/t13-/m1/s1
InChIKeyVOUBCQNGVXVCSR-CYBMUJFWSA-N
XLogP2.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.83
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate with MolForge

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Related Compounds

(2R)-5-chloro-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 20716534
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CID 58720192
tert-butyl N-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 108567412
1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 130277110
tert-butyl N-[2-[(3S,5R)-4-(4-chloro-2-methylphenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]carbamate
CID 170448853
tert-butyl N-[2-[2-(2,5-dichlorophenyl)hydrazinyl]-2-oxoethyl]carbamate
CID 142632500
N-[3-(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]prop-2-enamide
CID 166408491
(2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 94853705
tert-butyl N-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]ethyl]carbamate
CID 178127207
tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate
CID 157342432
tert-butyl N-[(6-chloro-1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate
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(4-chlorophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 137320625

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate (CID 57261215) is tert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1c2ccc(Cl)cc2C[C@@H]1C(=O)NCC(F)(F)F.
What is the InChIKey of tert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
The InChIKey is VOUBCQNGVXVCSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21ClF3N3O4/c1-17(2,3)29-16(28)23-8-14(26)25-12-5-4-11(19)6-10(12)7-13(25)15(27)24-9-18(20,21)22/h4-6,13H,7-9H2,1-3H3,(H,23,28)(H,24,27)/t13-/m1/s1.
What are the key properties of tert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate has a molecular weight of 435.83 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2R)-5-chloro-2-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 57261215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).