1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea

C15H14ClFN2O — CID 110775324

IUPAC1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1)NCc1cc(Cl)ccc1F
InChIInChI=1S/C15H14ClFN2O/c16-13-6-7-14(17)12(8-13)10-19-15(20)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyJMNWCLSWHKBNMT-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.48
Rot. Bonds4

About 1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea

1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea (PubChem CID 110775324) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea
PubChem CID110775324
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1)NCc1cc(Cl)ccc1F
InChIInChI=1S/C15H14ClFN2O/c16-13-6-7-14(17)12(8-13)10-19-15(20)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyJMNWCLSWHKBNMT-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
CID 56920126
1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea
CID 42609411
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
1-benzyl-3-(2-bromo-5-chlorophenyl)urea
CID 103786178
N-[(5-chloro-2-fluorophenyl)methyl]-3-oxobutanamide
CID 115176410
N-(benzylcarbamoyl)carbamoyl chloride
CID 10443184
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea
CID 110775874
N-[(5-chloro-2-fluorophenyl)methyl]-3-sulfanylpropanamide
CID 115167873
N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
CID 38157936
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988923
N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide
CID 60972560

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea (CID 110775324) is 1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea is O=C(NCc1ccccc1)NCc1cc(Cl)ccc1F.
What is the InChIKey of 1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea?
The InChIKey is JMNWCLSWHKBNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-13-6-7-14(17)12(8-13)10-19-15(20)18-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,18,19,20).
What are the key properties of 1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea?
1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea has a molecular weight of 292.74 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea is sourced from PubChem (CID 110775324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).