1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea

C19H21N3O2 — CID 53099625

IUPAC1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea
SMILESCNC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)C(C)C2
InChIInChI=1S/C19H21N3O2/c1-13-10-16-9-8-14(12-21-19(24)20-2)11-17(16)22(13)18(23)15-6-4-3-5-7-15/h3-9,11,13H,10,12H2,1-2H3,(H2,20,21,24)
InChIKeyKBRQBEUXPYZEHO-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.71
Rot. Bonds3

About 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea

1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea (PubChem CID 53099625) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea.

Molecular Properties

Compound Name1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea
PubChem CID53099625
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea
SMILESCNC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)C(C)C2
InChIInChI=1S/C19H21N3O2/c1-13-10-16-9-8-14(12-21-19(24)20-2)11-17(16)22(13)18(23)15-6-4-3-5-7-15/h3-9,11,13H,10,12H2,1-2H3,(H2,20,21,24)
InChIKeyKBRQBEUXPYZEHO-UHFFFAOYSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Fedovapagon
CID 10298385
4-((1-butyl-3-phenylureido)methyl)-N-hydroxybenzamide
CID 71462653
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
1-{[(4-tert-butylphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione
CID 2731902
1-(3-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329880
1-(4-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329887
1-(3-ethylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329891
1-(3,4-dimethylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329895
1-(3,5-dimethylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329896
3-[3-fluoro-4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-(3-methylphenyl)urea
CID 5329899

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea?
The IUPAC name of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea (CID 53099625) is 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea.
What is the SMILES notation for 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea?
The canonical SMILES for 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea is CNC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)C(C)C2.
What is the InChIKey of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea?
The InChIKey is KBRQBEUXPYZEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-10-16-9-8-14(12-21-19(24)20-2)11-17(16)22(13)18(23)15-6-4-3-5-7-15/h3-9,11,13H,10,12H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea?
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea has a molecular weight of 323.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea is sourced from PubChem (CID 53099625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).