1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea

C20H24FN3O3 — CID 86830758

IUPAC1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea
SMILESCCOc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1F
InChIInChI=1S/C20H24FN3O3/c1-2-27-19-8-5-16(13-18(19)21)23-20(25)22-14-15-3-6-17(7-4-15)24-9-11-26-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H2,22,23,25)
InChIKeyFQQYTSOBTNRZLA-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.38
Rot. Bonds6

About 1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea

1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea (PubChem CID 86830758) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea
PubChem CID86830758
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea
SMILESCCOc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1F
InChIInChI=1S/C20H24FN3O3/c1-2-27-19-8-5-16(13-18(19)21)23-20(25)22-14-15-3-6-17(7-4-15)24-9-11-26-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H2,22,23,25)
InChIKeyFQQYTSOBTNRZLA-UHFFFAOYSA-N
XLogP3.38
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(4-morpholin-4-ylphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 86830614
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86870833
4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890649
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 51082657
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea
CID 110775057
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110900571
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 167814480

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea?
The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea (CID 86830758) is 1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea?
The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea is CCOc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea?
The InChIKey is FQQYTSOBTNRZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-2-27-19-8-5-16(13-18(19)21)23-20(25)22-14-15-3-6-17(7-4-15)24-9-11-26-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H2,22,23,25).
What are the key properties of 1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea?
1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea has a molecular weight of 373.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea is sourced from PubChem (CID 86830758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).