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

C18H20ClFN2O — CID 52593738

IUPAC1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)NCc1ccccc1F
InChIInChI=1S/C18H20ClFN2O/c1-3-12-9-10-15(19)14(4-2)17(12)22-18(23)21-11-13-7-5-6-8-16(13)20/h5-10H,3-4,11H2,1-2H3,(H2,21,22,23)
InChIKeyQHSQXMYXQUOGMH-UHFFFAOYSA-N
MW334.82 g/mol
LogP4.93
Rot. Bonds5

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

1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea (PubChem CID 52593738) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is 1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea
PubChem CID52593738
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC Name1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)NCc1ccccc1F
InChIInChI=1S/C18H20ClFN2O/c1-3-12-9-10-15(19)14(4-2)17(12)22-18(23)21-11-13-7-5-6-8-16(13)20/h5-10H,3-4,11H2,1-2H3,(H2,21,22,23)
InChIKeyQHSQXMYXQUOGMH-UHFFFAOYSA-N
XLogP4.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897575
1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944969
1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea
CID 47197433
1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
CID 47103647
1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
CID 95771319
1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890756
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 47480737
1-(2-chloro-3-pyridinyl)-3-[(2-fluorophenyl)methyl]urea
CID 47400847
N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344914
N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
CID 39768886

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea (CID 52593738) is 1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea is CCc1ccc(Cl)c(CC)c1NC(=O)NCc1ccccc1F.
What is the InChIKey of 1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is QHSQXMYXQUOGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O/c1-3-12-9-10-15(19)14(4-2)17(12)22-18(23)21-11-13-7-5-6-8-16(13)20/h5-10H,3-4,11H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea?
1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 334.82 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 52593738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).