1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea

C14H16BrFN2O2 — CID 169150632

IUPAC1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea
SMILESO=C(N[C@@H](CO)c1cccc(Br)c1)NC12CC(F)(C1)C2
InChIInChI=1S/C14H16BrFN2O2/c15-10-3-1-2-9(4-10)11(5-19)17-12(20)18-14-6-13(16,7-14)8-14/h1-4,11,19H,5-8H2,(H2,17,18,20)/t11-,13?,14?/m0/s1
InChIKeyDKCLKCMVDJIXMW-XGNXJENSSA-N
MW343.20 g/mol
LogP2.43
Rot. Bonds4

About 1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea

1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea (PubChem CID 169150632) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea
PubChem CID169150632
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea
SMILESO=C(N[C@@H](CO)c1cccc(Br)c1)NC12CC(F)(C1)C2
InChIInChI=1S/C14H16BrFN2O2/c15-10-3-1-2-9(4-10)11(5-19)17-12(20)18-14-6-13(16,7-14)8-14/h1-4,11,19H,5-8H2,(H2,17,18,20)/t11-,13?,14?/m0/s1
InChIKeyDKCLKCMVDJIXMW-XGNXJENSSA-N
XLogP2.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea with MolForge

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Related Compounds

US20250002452, Example 54
CID 169150542
US20250002452, Example 16
CID 169150549
US20250002452, Example 12
CID 169150596
US20250002452, Example 44
CID 169150652
1-[(3-Bromo-5-fluorophenyl)methyl]-3-[1-(2-hydroxyethyl)cyclobutyl]urea
CID 84587604
tert-Butyl (1-(5-bromo-2-fluorophenyl)-2-hydroxyethyl)carbamate
CID 116860943
[1-(3-Bromo-5-fluorophenyl)-2-hydroxyethyl]carbamic acid
CID 118045546
1-[1-(3-Bromophenyl)-2-hydroxyethyl]-3-(5,5,5-trifluoropent-1-en-2-yl)urea
CID 169150603
1-[1-(3-Bromophenyl)-2-hydroxyethyl]-3-[3-(trifluoromethyl)but-3-enyl]urea
CID 169150618
1-[1-(3-Bromophenyl)-2-hydroxyethyl]-3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]urea
CID 169767310
1-(1-Bicyclo[1.1.1]pentanyl)-3-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 169767357
1-[1-(3-Bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea
CID 169767501

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea?
The IUPAC name of 1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea (CID 169150632) is 1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea.
What is the SMILES notation for 1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea?
The canonical SMILES for 1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea is O=C(N[C@@H](CO)c1cccc(Br)c1)NC12CC(F)(C1)C2.
What is the InChIKey of 1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea?
The InChIKey is DKCLKCMVDJIXMW-XGNXJENSSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c15-10-3-1-2-9(4-10)11(5-19)17-12(20)18-14-6-13(16,7-14)8-14/h1-4,11,19H,5-8H2,(H2,17,18,20)/t11-,13?,14?/m0/s1.
What are the key properties of 1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea?
1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea has a molecular weight of 343.20 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea is sourced from PubChem (CID 169150632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).