1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea

C24H22FN3O3 — CID 46570389

IUPAC1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C24H22FN3O3/c25-19-10-6-17(7-11-19)22-16-28(14-15-31-22)23(29)18-8-12-21(13-9-18)27-24(30)26-20-4-2-1-3-5-20/h1-13,22H,14-16H2,(H2,26,27,30)
InChIKeyOBRHDHPTOCAJBC-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.68
Rot. Bonds4

About 1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea

1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea (PubChem CID 46570389) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
PubChem CID46570389
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC Name1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C24H22FN3O3/c25-19-10-6-17(7-11-19)22-16-28(14-15-31-22)23(29)18-8-12-21(13-9-18)27-24(30)26-20-4-2-1-3-5-20/h1-13,22H,14-16H2,(H2,26,27,30)
InChIKeyOBRHDHPTOCAJBC-UHFFFAOYSA-N
XLogP4.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea
CID 71898747
2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 55698518
N-[4-(2-phenylmorpholine-4-carbonyl)phenyl]benzamide
CID 42944919
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325
2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
CID 55696920
N-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanesulfonamide
CID 134044195
(4-fluorophenyl)-[(2R)-2-pyridin-2-ylmorpholin-4-yl]methanone
CID 95844813
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
1-[4-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]pyrrolidin-2-one
CID 38372185
(6-fluoro-3-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 63979909

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea (CID 46570389) is 1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOC(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea?
The InChIKey is OBRHDHPTOCAJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c25-19-10-6-17(7-11-19)22-16-28(14-15-31-22)23(29)18-8-12-21(13-9-18)27-24(30)26-20-4-2-1-3-5-20/h1-13,22H,14-16H2,(H2,26,27,30).
What are the key properties of 1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea?
1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea has a molecular weight of 419.46 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea is sourced from PubChem (CID 46570389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).