1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea

C10H12BrFN2O — CID 25119143

IUPAC1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NCc1cccc(Br)c1
InChIInChI=1S/C10H12BrFN2O/c11-9-3-1-2-8(6-9)7-14-10(15)13-5-4-12/h1-3,6H,4-5,7H2,(H2,13,14,15)
InChIKeyHENGEKYRRMSQQX-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.22
Rot. Bonds4

About 1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea

1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea (PubChem CID 25119143) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea
PubChem CID25119143
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NCc1cccc(Br)c1
InChIInChI=1S/C10H12BrFN2O/c11-9-3-1-2-8(6-9)7-14-10(15)13-5-4-12/h1-3,6H,4-5,7H2,(H2,13,14,15)
InChIKeyHENGEKYRRMSQQX-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea?
The IUPAC name of 1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea (CID 25119143) is 1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea is O=C(NCCF)NCc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea?
The InChIKey is HENGEKYRRMSQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c11-9-3-1-2-8(6-9)7-14-10(15)13-5-4-12/h1-3,6H,4-5,7H2,(H2,13,14,15).
What are the key properties of 1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea?
1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea has a molecular weight of 275.12 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-3-(2-fluoroethyl)urea is sourced from PubChem (CID 25119143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).