1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

C13H13BrN2O3 — CID 110890281

IUPAC1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccco1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O3/c14-9-3-5-10(6-4-9)16-13(18)15-8-11(17)12-2-1-7-19-12/h1-7,11,17H,8H2,(H2,15,16,18)
InChIKeyWHLSAFPFXMBUOA-UHFFFAOYSA-N
MW325.16 g/mol
LogP2.90
Rot. Bonds4

About 1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 110890281) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID110890281
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccco1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O3/c14-9-3-5-10(6-4-9)16-13(18)15-8-11(17)12-2-1-7-19-12/h1-7,11,17H,8H2,(H2,15,16,18)
InChIKeyWHLSAFPFXMBUOA-UHFFFAOYSA-N
XLogP2.90
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111475157
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 78874508
1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea
CID 99634846
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460
butyl 4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate
CID 86993724
1-(4-chloro-3-nitrophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890610
(2S)-3-[(4-bromophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107838136

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 110890281) is 1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is O=C(NCC(O)c1ccco1)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is WHLSAFPFXMBUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c14-9-3-5-10(6-4-9)16-13(18)15-8-11(17)12-2-1-7-19-12/h1-7,11,17H,8H2,(H2,15,16,18).
What are the key properties of 1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 325.16 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 110890281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).