1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea

C15H14BrFN2O — CID 26008081

IUPAC1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea
SMILESC[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrFN2O/c1-10(11-2-4-12(16)5-3-11)18-15(20)19-14-8-6-13(17)7-9-14/h2-10H,1H3,(H2,18,19,20)/t10-/m0/s1
InChIKeyDFTBOQNNKBDRTO-JTQLQIEISA-N
MW337.19 g/mol
LogP4.47
Rot. Bonds3

About 1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea

1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea (PubChem CID 26008081) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea
PubChem CID26008081
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea
SMILESC[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrFN2O/c1-10(11-2-4-12(16)5-3-11)18-15(20)19-14-8-6-13(17)7-9-14/h2-10H,1H3,(H2,18,19,20)/t10-/m0/s1
InChIKeyDFTBOQNNKBDRTO-JTQLQIEISA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 61499885
1-[1-(4-bromophenyl)ethyl]-3-(1,3-dioxoisoindol-5-yl)urea
CID 10134845
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
1-[(1S)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 106831663
1-[(1R)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 58762667
N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47097775
1-(4-bromophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108869222
1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea
CID 43298096
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-fluorophenyl)urea
CID 24819117
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea (CID 26008081) is 1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea is C[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea?
The InChIKey is DFTBOQNNKBDRTO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-10(11-2-4-12(16)5-3-11)18-15(20)19-14-8-6-13(17)7-9-14/h2-10H,1H3,(H2,18,19,20)/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea?
1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea has a molecular weight of 337.19 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 26008081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).