1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(morpholine-4-carbonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]urea

C25H24ClF3N4O3 — CID 155530720

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(morpholine-4-carbonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(morpholine-4-carbonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]urea (PubChem CID 155530720) has the molecular formula C25H24ClF3N4O3 and a molecular weight of 520.94 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(morpholine-4-carbonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]urea.

Molecular Properties

• Compound Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(morpholine-4-carbonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]urea
• PubChem CID: 155530720
• Molecular Formula: C25H24ClF3N4O3
• Molecular Weight: 520.94 g/mol
• Exact Mass: 520.15
• IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(morpholine-4-carbonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]urea
• SMILES: O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CCc2[nH]c3cccc(C(=O)N4CCOCC4)c3c2C1
• InChI: InChI=1S/C25H24ClF3N4O3/c26-19-6-4-15(13-18(19)25(27,28)29)31-24(35)30-14-5-7-20-17(12-14)22-16(2-1-3-21(22)32-20)23(34)33-8-10-36-11-9-33/h1-4,6,13-14,32H,5,7-12H2,(H2,30,31,35)
• InChIKey: XPJIWJKFMYVEQL-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.94
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(morpholine-4-carbonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]urea?

The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(morpholine-4-carbonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]urea (CID 155530720) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(morpholine-4-carbonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]urea.

What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(morpholine-4-carbonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]urea?

The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(morpholine-4-carbonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]urea is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CCc2[nH]c3cccc(C(=O)N4CCOCC4)c3c2C1.

What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(morpholine-4-carbonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]urea?

The InChIKey is XPJIWJKFMYVEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N4O3/c26-19-6-4-15(13-18(19)25(27,28)29)31-24(35)30-14-5-7-20-17(12-14)22-16(2-1-3-21(22)32-20)23(34)33-8-10-36-11-9-33/h1-4,6,13-14,32H,5,7-12H2,(H2,30,31,35).

What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(morpholine-4-carbonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]urea?

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(morpholine-4-carbonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]urea has a molecular weight of 520.94 g/mol, XLogP of 4.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(morpholine-4-carbonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]urea is sourced from PubChem (CID 155530720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).