1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea

C17H16ClN3O2 — CID 110775786

IUPAC1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
SMILESO=C1Cc2cc(CCNC(=O)Nc3cccc(Cl)c3)ccc2N1
InChIInChI=1S/C17H16ClN3O2/c18-13-2-1-3-14(10-13)20-17(23)19-7-6-11-4-5-15-12(8-11)9-16(22)21-15/h1-5,8,10H,6-7,9H2,(H,21,22)(H2,19,20,23)
InChIKeyXXWJXBNHIZVOQZ-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.20
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea

1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea (PubChem CID 110775786) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
PubChem CID110775786
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
SMILESO=C1Cc2cc(CCNC(=O)Nc3cccc(Cl)c3)ccc2N1
InChIInChI=1S/C17H16ClN3O2/c18-13-2-1-3-14(10-13)20-17(23)19-7-6-11-4-5-15-12(8-11)9-16(22)21-15/h1-5,8,10H,6-7,9H2,(H,21,22)(H2,19,20,23)
InChIKeyXXWJXBNHIZVOQZ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea
CID 110774980
N-(3-chlorophenyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768484
1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide
CID 115172488
N-[3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]acetamide
CID 170984996
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1203825
3-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 110788471
2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 115180068
3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 115173941
1-(4-amino-4-sulfanylidenebutyl)-3-(3-chlorophenyl)urea
CID 62668290
3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propanoic acid
CID 112518611
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
CID 108991013

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea (CID 110775786) is 1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea is O=C1Cc2cc(CCNC(=O)Nc3cccc(Cl)c3)ccc2N1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea?
The InChIKey is XXWJXBNHIZVOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-13-2-1-3-14(10-13)20-17(23)19-7-6-11-4-5-15-12(8-11)9-16(22)21-15/h1-5,8,10H,6-7,9H2,(H,21,22)(H2,19,20,23).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea?
1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea has a molecular weight of 329.79 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea is sourced from PubChem (CID 110775786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).