1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea

C19H20Cl2FN3O2 — CID 10136373

IUPAC1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea
SMILESO=C(NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)Nc1cccc(F)c1
InChIInChI=1S/C19H20Cl2FN3O2/c20-17-5-4-13(8-18(17)21)11-25-6-7-27-16(12-25)10-23-19(26)24-15-3-1-2-14(22)9-15/h1-5,8-9,16H,6-7,10-12H2,(H2,23,24,26)
InChIKeyUHYMDBFNUWROLZ-UHFFFAOYSA-N
MW412.29 g/mol
LogP4.16
Rot. Bonds5

About 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea

1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea (PubChem CID 10136373) has the molecular formula C19H20Cl2FN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea
PubChem CID10136373
Molecular FormulaC19H20Cl2FN3O2
Molecular Weight412.29 g/mol
Exact Mass411.09
IUPAC Name1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea
SMILESO=C(NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)Nc1cccc(F)c1
InChIInChI=1S/C19H20Cl2FN3O2/c20-17-5-4-13(8-18(17)21)11-25-6-7-27-16(12-25)10-23-19(26)24-15-3-1-2-14(22)9-15/h1-5,8-9,16H,6-7,10-12H2,(H2,23,24,26)
InChIKeyUHYMDBFNUWROLZ-UHFFFAOYSA-N
XLogP4.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea (CID 10136373) is 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea is O=C(NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)Nc1cccc(F)c1.
What is the InChIKey of 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea?
The InChIKey is UHYMDBFNUWROLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FN3O2/c20-17-5-4-13(8-18(17)21)11-25-6-7-27-16(12-25)10-23-19(26)24-15-3-1-2-14(22)9-15/h1-5,8-9,16H,6-7,10-12H2,(H2,23,24,26).
What are the key properties of 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea?
1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea has a molecular weight of 412.29 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 10136373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).