1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea

C16H14ClN3O — CID 7616083

IUPAC1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1Cl
InChIInChI=1S/C16H14ClN3O/c1-10-6-7-11(8-13(10)17)19-16(21)20-15-9-18-14-5-3-2-4-12(14)15/h2-9,18H,1H3,(H2,19,20,21)
InChIKeyFWAWUBPOSFYSMU-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.77
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea

1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea (PubChem CID 7616083) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea
PubChem CID7616083
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1Cl
InChIInChI=1S/C16H14ClN3O/c1-10-6-7-11(8-13(10)17)19-16(21)20-15-9-18-14-5-3-2-4-12(14)15/h2-9,18H,1H3,(H2,19,20,21)
InChIKeyFWAWUBPOSFYSMU-UHFFFAOYSA-N
XLogP4.77
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea (CID 7616083) is 1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea is Cc1ccc(NC(=O)Nc2c[nH]c3ccccc23)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea?
The InChIKey is FWAWUBPOSFYSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-6-7-11(8-13(10)17)19-16(21)20-15-9-18-14-5-3-2-4-12(14)15/h2-9,18H,1H3,(H2,19,20,21).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea?
1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea has a molecular weight of 299.76 g/mol, XLogP of 4.77, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 7616083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).