1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea

C21H25ClFN3O2 — CID 42928186

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
SMILESO=C(NCCc1ccc(Cl)cc1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C21H25ClFN3O2/c22-18-5-1-16(2-6-18)9-10-24-21(27)25-15-20(26-11-13-28-14-12-26)17-3-7-19(23)8-4-17/h1-8,20H,9-15H2,(H2,24,25,27)
InChIKeyWQSOSUIXHJLIFL-UHFFFAOYSA-N
MW405.90 g/mol
LogP3.39
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea

1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea (PubChem CID 42928186) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
PubChem CID42928186
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
SMILESO=C(NCCc1ccc(Cl)cc1)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C21H25ClFN3O2/c22-18-5-1-16(2-6-18)9-10-24-21(27)25-15-20(26-11-13-28-14-12-26)17-3-7-19(23)8-4-17/h1-8,20H,9-15H2,(H2,24,25,27)
InChIKeyWQSOSUIXHJLIFL-UHFFFAOYSA-N
XLogP3.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-3-[(2R)-2-morpholin-4-yl-2-phenylethyl]urea
CID 51934907
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
1-[(4-chlorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890774
1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890407
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea
CID 60592399
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 27811203
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
3-(2,4-dichlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 55574928
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 18589035
2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 55369853

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea (CID 42928186) is 1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea is O=C(NCCc1ccc(Cl)cc1)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea?
The InChIKey is WQSOSUIXHJLIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O2/c22-18-5-1-16(2-6-18)9-10-24-21(27)25-15-20(26-11-13-28-14-12-26)17-3-7-19(23)8-4-17/h1-8,20H,9-15H2,(H2,24,25,27).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea?
1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea has a molecular weight of 405.90 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea is sourced from PubChem (CID 42928186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).