1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea

C18H17ClFN3O3 — CID 24945518

IUPAC1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCOCC2)c(F)c1
InChIInChI=1S/C18H17ClFN3O3/c19-12-1-3-13(4-2-12)21-18(25)22-14-5-6-15(16(20)11-14)17(24)23-7-9-26-10-8-23/h1-6,11H,7-10H2,(H2,21,22,25)
InChIKeyLTSIRPCPJIDJCV-UHFFFAOYSA-N
MW377.80 g/mol
LogP3.60
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea

1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea (PubChem CID 24945518) has the molecular formula C18H17ClFN3O3 and a molecular weight of 377.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea
PubChem CID24945518
Molecular FormulaC18H17ClFN3O3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC Name1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCOCC2)c(F)c1
InChIInChI=1S/C18H17ClFN3O3/c19-12-1-3-13(4-2-12)21-18(25)22-14-5-6-15(16(20)11-14)17(24)23-7-9-26-10-8-23/h1-6,11H,7-10H2,(H2,21,22,25)
InChIKeyLTSIRPCPJIDJCV-UHFFFAOYSA-N
XLogP3.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea (CID 24945518) is 1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCOCC2)c(F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea?
The InChIKey is LTSIRPCPJIDJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O3/c19-12-1-3-13(4-2-12)21-18(25)22-14-5-6-15(16(20)11-14)17(24)23-7-9-26-10-8-23/h1-6,11H,7-10H2,(H2,21,22,25).
What are the key properties of 1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea has a molecular weight of 377.80 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 24945518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).