1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea

C14H19BrFN3O2 — CID 51116711

IUPAC1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea
SMILESCC(CNC(=O)Nc1ccc(F)cc1Br)N1CCOCC1
InChIInChI=1S/C14H19BrFN3O2/c1-10(19-4-6-21-7-5-19)9-17-14(20)18-13-3-2-11(16)8-12(13)15/h2-3,8,10H,4-7,9H2,1H3,(H2,17,18,20)
InChIKeyLRFKVBXOUBVWHM-UHFFFAOYSA-N
MW360.23 g/mol
LogP2.43
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea

1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea (PubChem CID 51116711) has the molecular formula C14H19BrFN3O2 and a molecular weight of 360.23 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea
PubChem CID51116711
Molecular FormulaC14H19BrFN3O2
Molecular Weight360.23 g/mol
Exact Mass359.06
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea
SMILESCC(CNC(=O)Nc1ccc(F)cc1Br)N1CCOCC1
InChIInChI=1S/C14H19BrFN3O2/c1-10(19-4-6-21-7-5-19)9-17-14(20)18-13-3-2-11(16)8-12(13)15/h2-3,8,10H,4-7,9H2,1H3,(H2,17,18,20)
InChIKeyLRFKVBXOUBVWHM-UHFFFAOYSA-N
XLogP2.43
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea
CID 75449677
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
2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 47040606
(4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 37252141
2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55694970
N-[(2-bromo-4-fluorophenyl)carbamoyl]-2-chloropropanamide
CID 43146418
(2S)-2-[(2-bromo-4-fluorophenyl)carbamoylamino]propanoic acid
CID 78967831
3-amino-N-(2-bromo-4-fluorophenyl)-2-methylpropanamide
CID 62670318
1-[[(2-bromo-4-fluorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312396
N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide
CID 110483733

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea (CID 51116711) is 1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea is CC(CNC(=O)Nc1ccc(F)cc1Br)N1CCOCC1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea?
The InChIKey is LRFKVBXOUBVWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3O2/c1-10(19-4-6-21-7-5-19)9-17-14(20)18-13-3-2-11(16)8-12(13)15/h2-3,8,10H,4-7,9H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea?
1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea has a molecular weight of 360.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 51116711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).