1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea

C17H16ClN3O2 — CID 110748774

IUPAC1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea
SMILESO=C(NCCC1C(=O)Nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c18-11-5-7-12(8-6-11)20-17(23)19-10-9-14-13-3-1-2-4-15(13)21-16(14)22/h1-8,14H,9-10H2,(H,21,22)(H2,19,20,23)
InChIKeyDKSZHZODFBXXSE-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.59
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea

1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea (PubChem CID 110748774) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea
PubChem CID110748774
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea
SMILESO=C(NCCC1C(=O)Nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c18-11-5-7-12(8-6-11)20-17(23)19-10-9-14-13-3-1-2-4-15(13)21-16(14)22/h1-8,14H,9-10H2,(H,21,22)(H2,19,20,23)
InChIKeyDKSZHZODFBXXSE-UHFFFAOYSA-N
XLogP3.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea
CID 31771075
4-chloro-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730209
1-(2-chloro-5-fluorophenyl)-3-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea
CID 98139825
1-(2-chloro-5-fluorophenyl)-3-[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]ethyl]urea
CID 95568579
N-(4-chlorophenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 2272538
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]cyclohexanecarboxamide
CID 110730173
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-phenoxyacetamide
CID 110730204
1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea
CID 110748117
(3S)-3-[2-[(5-chloropyrimidin-2-yl)amino]ethyl]-1,3-dihydroindol-2-one
CID 124888729
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110730198
N'-(5-methyl-3-pyridinyl)-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]oxamide
CID 167864550
3,5-dimethoxy-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730193

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea (CID 110748774) is 1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea is O=C(NCCC1C(=O)Nc2ccccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea?
The InChIKey is DKSZHZODFBXXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-11-5-7-12(8-6-11)20-17(23)19-10-9-14-13-3-1-2-4-15(13)21-16(14)22/h1-8,14H,9-10H2,(H,21,22)(H2,19,20,23).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea has a molecular weight of 329.79 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea is sourced from PubChem (CID 110748774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).