1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea

C15H19ClFN3O — CID 171518313

IUPAC1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea
SMILESCC(C)c1cc2[nH]c(CNC(=O)NCCF)cc2cc1Cl
InChIInChI=1S/C15H19ClFN3O/c1-9(2)12-7-14-10(6-13(12)16)5-11(20-14)8-19-15(21)18-4-3-17/h5-7,9,20H,3-4,8H2,1-2H3,(H2,18,19,21)
InChIKeyAMQMURVGMMGMQA-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.71
Rot. Bonds5

About 1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea

1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea (PubChem CID 171518313) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is 1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea
PubChem CID171518313
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC Name1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea
SMILESCC(C)c1cc2[nH]c(CNC(=O)NCCF)cc2cc1Cl
InChIInChI=1S/C15H19ClFN3O/c1-9(2)12-7-14-10(6-13(12)16)5-11(20-14)8-19-15(21)18-4-3-17/h5-7,9,20H,3-4,8H2,1-2H3,(H2,18,19,21)
InChIKeyAMQMURVGMMGMQA-UHFFFAOYSA-N
XLogP3.71
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea?
The IUPAC name of 1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea (CID 171518313) is 1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea is CC(C)c1cc2[nH]c(CNC(=O)NCCF)cc2cc1Cl.
What is the InChIKey of 1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea?
The InChIKey is AMQMURVGMMGMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O/c1-9(2)12-7-14-10(6-13(12)16)5-11(20-14)8-19-15(21)18-4-3-17/h5-7,9,20H,3-4,8H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea?
1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea has a molecular weight of 311.79 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2-fluoroethyl)urea is sourced from PubChem (CID 171518313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).