1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea

C20H24FN3O2 — CID 664822

IUPAC1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)N(CCN1CCOCC1)Cc1ccccc1F
InChIInChI=1S/C20H24FN3O2/c21-19-9-5-4-6-17(19)16-24(11-10-23-12-14-26-15-13-23)20(25)22-18-7-2-1-3-8-18/h1-9H,10-16H2,(H,22,25)
InChIKeyYAXGVCQVVVTDAP-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.19
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea

1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea (PubChem CID 664822) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea
PubChem CID664822
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)N(CCN1CCOCC1)Cc1ccccc1F
InChIInChI=1S/C20H24FN3O2/c21-19-9-5-4-6-17(19)16-24(11-10-23-12-14-26-15-13-23)20(25)22-18-7-2-1-3-8-18/h1-9H,10-16H2,(H,22,25)
InChIKeyYAXGVCQVVVTDAP-UHFFFAOYSA-N
XLogP3.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea (CID 664822) is 1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea is O=C(Nc1ccccc1)N(CCN1CCOCC1)Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea?
The InChIKey is YAXGVCQVVVTDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-19-9-5-4-6-17(19)16-24(11-10-23-12-14-26-15-13-23)20(25)22-18-7-2-1-3-8-18/h1-9H,10-16H2,(H,22,25).
What are the key properties of 1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea?
1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea has a molecular weight of 357.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-phenylurea is sourced from PubChem (CID 664822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).