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

C15H15BrClN3O — CID 103481256

IUPAC1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea
SMILESCC(N)c1cccc(NC(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C15H15BrClN3O/c1-9(18)10-4-2-5-11(8-10)19-15(21)20-13-7-3-6-12(17)14(13)16/h2-9H,18H2,1H3,(H2,19,20,21)
InChIKeyKKORGUSOZFYMCG-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.77
Rot. Bonds3

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

1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea (PubChem CID 103481256) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea
PubChem CID103481256
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea
SMILESCC(N)c1cccc(NC(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C15H15BrClN3O/c1-9(18)10-4-2-5-11(8-10)19-15(21)20-13-7-3-6-12(17)14(13)16/h2-9H,18H2,1H3,(H2,19,20,21)
InChIKeyKKORGUSOZFYMCG-UHFFFAOYSA-N
XLogP4.77
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea
CID 103480099
1-[3-(1-aminoethyl)phenyl]-3-(2-chloro-5-methylphenyl)urea
CID 107630153
1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 61340020
1-[3-(1-aminoethyl)phenyl]-3-(2,3-dimethylphenyl)urea
CID 61342211
1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 103480109
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea
CID 61340199
1-[3-(1-aminoethyl)phenyl]-3-(4-bromo-3-methylphenyl)urea
CID 61340907
1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea
CID 61341644
(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide
CID 103479404
N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348008
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea (CID 103481256) is 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea is CC(N)c1cccc(NC(=O)Nc2cccc(Cl)c2Br)c1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea?
The InChIKey is KKORGUSOZFYMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-9(18)10-4-2-5-11(8-10)19-15(21)20-13-7-3-6-12(17)14(13)16/h2-9H,18H2,1H3,(H2,19,20,21).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea?
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea has a molecular weight of 368.66 g/mol, XLogP of 4.77, 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-3-chlorophenyl)urea is sourced from PubChem (CID 103481256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).