1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea

C21H26FN3O2 — CID 664539

IUPAC1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1ccccc1F
InChIInChI=1S/C21H26FN3O2/c22-20-10-5-4-7-18(20)17-25(12-6-11-24-13-15-27-16-14-24)21(26)23-19-8-2-1-3-9-19/h1-5,7-10H,6,11-17H2,(H,23,26)
InChIKeySFIOEWAWADKDIK-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.58
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea

1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea (PubChem CID 664539) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea
PubChem CID664539
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1ccccc1F
InChIInChI=1S/C21H26FN3O2/c22-20-10-5-4-7-18(20)17-25(12-6-11-24-13-15-27-16-14-24)21(26)23-19-8-2-1-3-9-19/h1-5,7-10H,6,11-17H2,(H,23,26)
InChIKeySFIOEWAWADKDIK-UHFFFAOYSA-N
XLogP3.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ocfentanil
CID 60575
4-Morpholinecarboxamide, N-(4-fluorophenyl)-
CID 100827
1-(4-Fluorobenzyl)-3-phenylurea
CID 896691
3-(1-Benzylpiperidin-4-yl)-1-phenylurea
CID 4064342
4-Morpholinecarboxamide, N,N'-(methylenedi-4,1-phenylene)bis-
CID 116583
N-[4-(propan-2-yl)phenyl]morpholine-4-carboxamide
CID 669753
N-(2-Fluoro-phenyl)-2-methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-acetamide
CID 13653729
Ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 118396004
1-(4-Fluorophenyl)-3-(4-phenylbutyl)urea
CID 24818667
3-(3-Chlorophenyl)-1-[1-(2-fluorophenyl)but-3-enyl]-1-(2-morpholin-4-ylethyl)urea
CID 4439884
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
1,1-Dibenzyl-3-phenylurea
CID 791722

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea (CID 664539) is 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea is O=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea?
The InChIKey is SFIOEWAWADKDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c22-20-10-5-4-7-18(20)17-25(12-6-11-24-13-15-27-16-14-24)21(26)23-19-8-2-1-3-9-19/h1-5,7-10H,6,11-17H2,(H,23,26).
What are the key properties of 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea?
1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea has a molecular weight of 371.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea is sourced from PubChem (CID 664539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).