1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea

C18H16N4O2 — CID 14476472

IUPAC1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea
SMILESCC1(C)C(=O)Nc2cc(NC(=O)Nc3ccc(C#N)cc3)ccc21
InChIInChI=1S/C18H16N4O2/c1-18(2)14-8-7-13(9-15(14)22-16(18)23)21-17(24)20-12-5-3-11(10-19)4-6-12/h3-9H,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyXZBMWJCUPWNQCK-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.43
Rot. Bonds2

About 1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea

1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea (PubChem CID 14476472) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea
PubChem CID14476472
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea
SMILESCC1(C)C(=O)Nc2cc(NC(=O)Nc3ccc(C#N)cc3)ccc21
InChIInChI=1S/C18H16N4O2/c1-18(2)14-8-7-13(9-15(14)22-16(18)23)21-17(24)20-12-5-3-11(10-19)4-6-12/h3-9H,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyXZBMWJCUPWNQCK-UHFFFAOYSA-N
XLogP3.43
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)benzamide
CID 18952439
1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113952
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
1-(4-cyanophenyl)-3-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)urea
CID 16662014
N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide
CID 14476428
1-(4-cyanophenyl)-3-(4-nitrophenyl)urea
CID 43386590
2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid
CID 16784091
3-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16786471
(E)-N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-3-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 70394094
1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 3285930
N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 14856608
1-(1,3-benzodioxol-5-yl)-3-(4-cyanophenyl)urea
CID 46860052

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea (CID 14476472) is 1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea is CC1(C)C(=O)Nc2cc(NC(=O)Nc3ccc(C#N)cc3)ccc21.
What is the InChIKey of 1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea?
The InChIKey is XZBMWJCUPWNQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-18(2)14-8-7-13(9-15(14)22-16(18)23)21-17(24)20-12-5-3-11(10-19)4-6-12/h3-9H,1-2H3,(H,22,23)(H2,20,21,24).
What are the key properties of 1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea?
1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea has a molecular weight of 320.35 g/mol, XLogP of 3.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea is sourced from PubChem (CID 14476472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).