1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea

C15H15BrFN3O — CID 61340199

IUPAC1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea
SMILESCC(N)c1cccc(NC(=O)Nc2ccc(F)cc2Br)c1
InChIInChI=1S/C15H15BrFN3O/c1-9(18)10-3-2-4-12(7-10)19-15(21)20-14-6-5-11(17)8-13(14)16/h2-9H,18H2,1H3,(H2,19,20,21)
InChIKeyFVELEVLUSYDQEG-UHFFFAOYSA-N
MW352.21 g/mol
LogP4.25
Rot. Bonds3

About 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea

1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea (PubChem CID 61340199) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea
PubChem CID61340199
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea
SMILESCC(N)c1cccc(NC(=O)Nc2ccc(F)cc2Br)c1
InChIInChI=1S/C15H15BrFN3O/c1-9(18)10-3-2-4-12(7-10)19-15(21)20-14-6-5-11(17)8-13(14)16/h2-9H,18H2,1H3,(H2,19,20,21)
InChIKeyFVELEVLUSYDQEG-UHFFFAOYSA-N
XLogP4.25
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-aminoethyl)phenyl]-3-(4-fluoro-2-iodophenyl)urea
CID 79762220
1-[3-(1-aminoethyl)phenyl]-3-(4-bromo-3-methylphenyl)urea
CID 61340907
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea
CID 103481256
1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea
CID 61341644
1-[3-(1-aminoethyl)phenyl]-3-(2,3-dimethylphenyl)urea
CID 61342211
1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 61340020
1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859753
N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide
CID 16792077
N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
CID 63048072
1-[3-(1-aminoethyl)phenyl]-3-(2-chloro-5-methylphenyl)urea
CID 107630153
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
N-(2-bromo-4-fluorophenyl)-2,2-diphenylacetamide
CID 52653705

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea (CID 61340199) is 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea is CC(N)c1cccc(NC(=O)Nc2ccc(F)cc2Br)c1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea?
The InChIKey is FVELEVLUSYDQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-9(18)10-3-2-4-12(7-10)19-15(21)20-14-6-5-11(17)8-13(14)16/h2-9H,18H2,1H3,(H2,19,20,21).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea?
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea has a molecular weight of 352.21 g/mol, XLogP of 4.25, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea is sourced from PubChem (CID 61340199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).