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

C16H14ClN3O2 — CID 72947206

IUPAC[(4-chlorophenyl)-(2-oxo-1,3-dihydroindol-3-yl)methyl]urea
SMILESNC(=O)NC(c1ccc(Cl)cc1)C1C(=O)Nc2ccccc21
InChIInChI=1S/C16H14ClN3O2/c17-10-7-5-9(6-8-10)14(20-16(18)22)13-11-3-1-2-4-12(11)19-15(13)21/h1-8,13-14H,(H,19,21)(H3,18,20,22)
InChIKeyJXMPMSWRHWSMNT-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.79
Rot. Bonds3

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

[(4-chlorophenyl)-(2-oxo-1,3-dihydroindol-3-yl)methyl]urea (PubChem CID 72947206) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is [(4-chlorophenyl)-(2-oxo-1,3-dihydroindol-3-yl)methyl]urea.

Molecular Properties

Compound Name[(4-chlorophenyl)-(2-oxo-1,3-dihydroindol-3-yl)methyl]urea
PubChem CID72947206
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name[(4-chlorophenyl)-(2-oxo-1,3-dihydroindol-3-yl)methyl]urea
SMILESNC(=O)NC(c1ccc(Cl)cc1)C1C(=O)Nc2ccccc21
InChIInChI=1S/C16H14ClN3O2/c17-10-7-5-9(6-8-10)14(20-16(18)22)13-11-3-1-2-4-12(11)19-15(13)21/h1-8,13-14H,(H,19,21)(H3,18,20,22)
InChIKeyJXMPMSWRHWSMNT-UHFFFAOYSA-N
XLogP2.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)-(2-oxo-1,3-dihydroindol-3-yl)methyl]urea?
The IUPAC name of [(4-chlorophenyl)-(2-oxo-1,3-dihydroindol-3-yl)methyl]urea (CID 72947206) is [(4-chlorophenyl)-(2-oxo-1,3-dihydroindol-3-yl)methyl]urea.
What is the SMILES notation for [(4-chlorophenyl)-(2-oxo-1,3-dihydroindol-3-yl)methyl]urea?
The canonical SMILES for [(4-chlorophenyl)-(2-oxo-1,3-dihydroindol-3-yl)methyl]urea is NC(=O)NC(c1ccc(Cl)cc1)C1C(=O)Nc2ccccc21.
What is the InChIKey of [(4-chlorophenyl)-(2-oxo-1,3-dihydroindol-3-yl)methyl]urea?
The InChIKey is JXMPMSWRHWSMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-10-7-5-9(6-8-10)14(20-16(18)22)13-11-3-1-2-4-12(11)19-15(13)21/h1-8,13-14H,(H,19,21)(H3,18,20,22).
What are the key properties of [(4-chlorophenyl)-(2-oxo-1,3-dihydroindol-3-yl)methyl]urea?
[(4-chlorophenyl)-(2-oxo-1,3-dihydroindol-3-yl)methyl]urea has a molecular weight of 315.76 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)-(2-oxo-1,3-dihydroindol-3-yl)methyl]urea is sourced from PubChem (CID 72947206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).