3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea

C15H13Cl2FN2O — CID 24528585

IUPAC3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-20(9-10-4-2-3-5-14(10)18)15(21)19-11-6-7-12(16)13(17)8-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyKNZNAHPUDWWQQJ-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.80
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea

3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea (PubChem CID 24528585) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
PubChem CID24528585
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c1-20(9-10-4-2-3-5-14(10)18)15(21)19-11-6-7-12(16)13(17)8-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyKNZNAHPUDWWQQJ-UHFFFAOYSA-N
XLogP4.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-methylphenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
CID 2476713
3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577
3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47278262
3-(3,4-dichlorophenyl)-1-methyl-1-(methylsulfanylmethyl)urea
CID 21414071
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
CID 114230641
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 55401198
1-(3-bromopropyl)-3-(3,4-dichlorophenyl)-1-methylurea
CID 106441536
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81226236
3-(3,4-dichlorophenyl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 71902046
N-(3,4-dichlorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189570

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea (CID 24528585) is 3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea is CN(Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea?
The InChIKey is KNZNAHPUDWWQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-20(9-10-4-2-3-5-14(10)18)15(21)19-11-6-7-12(16)13(17)8-11/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea?
3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea has a molecular weight of 327.19 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea is sourced from PubChem (CID 24528585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).