1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea

C19H21N3O2 — CID 110358442

IUPAC1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
SMILESCC(C)C(=O)N1CCc2cc(NC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C19H21N3O2/c1-13(2)18(23)22-11-10-14-12-16(8-9-17(14)22)21-19(24)20-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H2,20,21,24)
InChIKeyGXJZFDXIVVSBEP-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.88
Rot. Bonds3

About 1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea

1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea (PubChem CID 110358442) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
PubChem CID110358442
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
SMILESCC(C)C(=O)N1CCc2cc(NC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C19H21N3O2/c1-13(2)18(23)22-11-10-14-12-16(8-9-17(14)22)21-19(24)20-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H2,20,21,24)
InChIKeyGXJZFDXIVVSBEP-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373580
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-phenylcyclopropane-1-carboxamide
CID 110609563
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide
CID 110358439
phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate
CID 7656784
3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358428
4-(2-chlorophenyl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-oxobutanamide
CID 110609573
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
2,3,4-trifluoro-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358449
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
2-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]acetamide
CID 110609553

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea?
The IUPAC name of 1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea (CID 110358442) is 1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea?
The canonical SMILES for 1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea is CC(C)C(=O)N1CCc2cc(NC(=O)Nc3ccccc3)ccc21.
What is the InChIKey of 1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea?
The InChIKey is GXJZFDXIVVSBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(2)18(23)22-11-10-14-12-16(8-9-17(14)22)21-19(24)20-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea?
1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea has a molecular weight of 323.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea is sourced from PubChem (CID 110358442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).