1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea

C14H11Cl2FN2O — CID 108897575

IUPAC1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1F)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2FN2O/c15-10-5-3-6-11(16)13(10)19-14(20)18-8-9-4-1-2-7-12(9)17/h1-7H,8H2,(H2,18,19,20)
InChIKeyQIPNQSGQYRITNN-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.45
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea

1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea (PubChem CID 108897575) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
PubChem CID108897575
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1F)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2FN2O/c15-10-5-3-6-11(16)13(10)19-14(20)18-8-9-4-1-2-7-12(9)17/h1-7H,8H2,(H2,18,19,20)
InChIKeyQIPNQSGQYRITNN-UHFFFAOYSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900131
1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea
CID 52593738
2-(2,6-dichloroanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 108997690
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
1-(2-chloro-3-pyridinyl)-3-[(2-fluorophenyl)methyl]urea
CID 47400847
1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
CID 47103647
N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946354
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 47480737
N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
CID 108962767
N-(2,6-dichlorophenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000245

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea (CID 108897575) is 1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea is O=C(NCc1ccccc1F)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is QIPNQSGQYRITNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c15-10-5-3-6-11(16)13(10)19-14(20)18-8-9-4-1-2-7-12(9)17/h1-7H,8H2,(H2,18,19,20).
What are the key properties of 1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea?
1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 313.16 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 108897575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).