3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea

C21H25ClFN3O2 — CID 664634

IUPAC3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
SMILESO=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1ccccc1F
InChIInChI=1S/C21H25ClFN3O2/c22-18-6-3-7-19(15-18)24-21(27)26(16-17-5-1-2-8-20(17)23)10-4-9-25-11-13-28-14-12-25/h1-3,5-8,15H,4,9-14,16H2,(H,24,27)
InChIKeyFQTFCURIUIHRLB-UHFFFAOYSA-N
MW405.90 g/mol
LogP4.24
Rot. Bonds7

About 3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea

3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea (PubChem CID 664634) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
PubChem CID664634
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC Name3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
SMILESO=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1ccccc1F
InChIInChI=1S/C21H25ClFN3O2/c22-18-6-3-7-19(15-18)24-21(27)26(16-17-5-1-2-8-20(17)23)10-4-9-25-11-13-28-14-12-25/h1-3,5-8,15H,4,9-14,16H2,(H,24,27)
InChIKeyFQTFCURIUIHRLB-UHFFFAOYSA-N
XLogP4.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea (CID 664634) is 3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea is O=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1ccccc1F.
What is the InChIKey of 3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The InChIKey is FQTFCURIUIHRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O2/c22-18-6-3-7-19(15-18)24-21(27)26(16-17-5-1-2-8-20(17)23)10-4-9-25-11-13-28-14-12-25/h1-3,5-8,15H,4,9-14,16H2,(H,24,27).
What are the key properties of 3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea has a molecular weight of 405.90 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 664634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).