[(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea

C15H20ClN3O2 — CID 124877237

IUPAC[(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea
SMILESCC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCc2c(Cl)cccc21
InChIInChI=1S/C15H20ClN3O2/c1-15(2,3)12(18-14(17)21)13(20)19-8-7-9-10(16)5-4-6-11(9)19/h4-6,12H,7-8H2,1-3H3,(H3,17,18,21)/t12-/m0/s1
InChIKeyFKUJLARQZZGBCJ-LBPRGKRZSA-N
MW309.80 g/mol
LogP2.31
Rot. Bonds2

About [(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea

[(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea (PubChem CID 124877237) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is [(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea.

Molecular Properties

Compound Name[(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea
PubChem CID124877237
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name[(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea
SMILESCC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCc2c(Cl)cccc21
InChIInChI=1S/C15H20ClN3O2/c1-15(2,3)12(18-14(17)21)13(20)19-8-7-9-10(16)5-4-6-11(9)19/h4-6,12H,7-8H2,1-3H3,(H3,17,18,21)/t12-/m0/s1
InChIKeyFKUJLARQZZGBCJ-LBPRGKRZSA-N
XLogP2.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea with MolForge

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Related Compounds

(1-aminocyclopropyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788748
1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone
CID 119788770
2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119326597
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 126795585
(3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119788761
(3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788766
2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 110456895
2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide
CID 110348128
[4-(aminomethyl)oxan-4-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120933176
5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-one
CID 14501445
[(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea
CID 124852461

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea?
The IUPAC name of [(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea (CID 124877237) is [(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea.
What is the SMILES notation for [(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea?
The canonical SMILES for [(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea is CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCc2c(Cl)cccc21.
What is the InChIKey of [(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea?
The InChIKey is FKUJLARQZZGBCJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-15(2,3)12(18-14(17)21)13(20)19-8-7-9-10(16)5-4-6-11(9)19/h4-6,12H,7-8H2,1-3H3,(H3,17,18,21)/t12-/m0/s1.
What are the key properties of [(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea?
[(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea has a molecular weight of 309.80 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-chloro-2,3-dihydroindol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea is sourced from PubChem (CID 124877237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).