1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea

C18H23FN4O2 — CID 75449677

IUPAC1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea
SMILESCC(CNC(=O)Nc1ccc(F)cc1-n1cccc1)N1CCOCC1
InChIInChI=1S/C18H23FN4O2/c1-14(22-8-10-25-11-9-22)13-20-18(24)21-16-5-4-15(19)12-17(16)23-6-2-3-7-23/h2-7,12,14H,8-11,13H2,1H3,(H2,20,21,24)
InChIKeyBPIZBBLFFMJXDO-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.46
Rot. Bonds5

About 1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea

1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea (PubChem CID 75449677) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea
PubChem CID75449677
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea
SMILESCC(CNC(=O)Nc1ccc(F)cc1-n1cccc1)N1CCOCC1
InChIInChI=1S/C18H23FN4O2/c1-14(22-8-10-25-11-9-22)13-20-18(24)21-16-5-4-15(19)12-17(16)23-6-2-3-7-23/h2-7,12,14H,8-11,13H2,1H3,(H2,20,21,24)
InChIKeyBPIZBBLFFMJXDO-UHFFFAOYSA-N
XLogP2.46
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea
CID 51116711
1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 42938134
N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide
CID 86988320
1-(5-fluoro-2-methylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86986971
N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide
CID 110483733
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
CID 24664998
1-[(2R)-2-morpholin-4-ylpropyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 94028317
1-(4-chloro-2-pyrrol-1-ylphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111474823
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 56556947
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyphenyl)urea
CID 24665000
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[(2R)-2-morpholin-4-ylpropyl]urea
CID 94171449
1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea
CID 87003592

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea (CID 75449677) is 1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea is CC(CNC(=O)Nc1ccc(F)cc1-n1cccc1)N1CCOCC1.
What is the InChIKey of 1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea?
The InChIKey is BPIZBBLFFMJXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-14(22-8-10-25-11-9-22)13-20-18(24)21-16-5-4-15(19)12-17(16)23-6-2-3-7-23/h2-7,12,14H,8-11,13H2,1H3,(H2,20,21,24).
What are the key properties of 1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea?
1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea has a molecular weight of 346.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 75449677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).