1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea

C15H23BrFN3O — CID 86882347

IUPAC1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea
SMILESCCN(CCNC(=O)NCc1ccc(Br)c(F)c1)C(C)C
InChIInChI=1S/C15H23BrFN3O/c1-4-20(11(2)3)8-7-18-15(21)19-10-12-5-6-13(16)14(17)9-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H2,18,19,21)
InChIKeyCWKOMUXJBHXMPS-UHFFFAOYSA-N
MW360.27 g/mol
LogP3.12
Rot. Bonds7

About 1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea

1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea (PubChem CID 86882347) has the molecular formula C15H23BrFN3O and a molecular weight of 360.27 g/mol. Its IUPAC name is 1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea
PubChem CID86882347
Molecular FormulaC15H23BrFN3O
Molecular Weight360.27 g/mol
Exact Mass359.10
IUPAC Name1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea
SMILESCCN(CCNC(=O)NCc1ccc(Br)c(F)c1)C(C)C
InChIInChI=1S/C15H23BrFN3O/c1-4-20(11(2)3)8-7-18-15(21)19-10-12-5-6-13(16)14(17)9-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H2,18,19,21)
InChIKeyCWKOMUXJBHXMPS-UHFFFAOYSA-N
XLogP3.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-bromo-3-fluorophenyl)methylamino]ethyl]-2-methylpropanamide
CID 81002137
3-[(4-bromo-3-fluorophenyl)methylamino]-N-ethylpropanamide
CID 113409631
3-[(4-bromo-3-fluorophenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110910356
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea
CID 111751065
2-[(4-bromo-3-fluorophenyl)methylamino]propanoic acid
CID 81436719
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide
CID 119307685
2-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpropanamide
CID 81002150
1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 51128647
1-[(4-bromo-3-fluorophenyl)methyl]-2-methyl-3-propan-2-ylguanidine
CID 111126942
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea
CID 110775057
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 81436611

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea?
The IUPAC name of 1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea (CID 86882347) is 1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea.
What is the SMILES notation for 1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea?
The canonical SMILES for 1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea is CCN(CCNC(=O)NCc1ccc(Br)c(F)c1)C(C)C.
What is the InChIKey of 1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea?
The InChIKey is CWKOMUXJBHXMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN3O/c1-4-20(11(2)3)8-7-18-15(21)19-10-12-5-6-13(16)14(17)9-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea?
1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea has a molecular weight of 360.27 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-3-fluorophenyl)methyl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea is sourced from PubChem (CID 86882347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).