1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea

C17H20FN3O — CID 110360744

IUPAC1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCCN(CC)C(=O)N(Cc1cccnc1)c1cccc(F)c1
InChIInChI=1S/C17H20FN3O/c1-3-20(4-2)17(22)21(13-14-7-6-10-19-12-14)16-9-5-8-15(18)11-16/h5-12H,3-4,13H2,1-2H3
InChIKeyMLMBBFDGEZUANA-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.69
Rot. Bonds5

About 1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea

1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 110360744) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID110360744
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCCN(CC)C(=O)N(Cc1cccnc1)c1cccc(F)c1
InChIInChI=1S/C17H20FN3O/c1-3-20(4-2)17(22)21(13-14-7-6-10-19-12-14)16-9-5-8-15(18)11-16/h5-12H,3-4,13H2,1-2H3
InChIKeyMLMBBFDGEZUANA-UHFFFAOYSA-N
XLogP3.69
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 110360929
1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360355
N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360716
N-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylacetamide
CID 71916629
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360509
N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771525
N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 42859312
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
4-[(3-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid
CID 651073

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea (CID 110360744) is 1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea is CCN(CC)C(=O)N(Cc1cccnc1)c1cccc(F)c1.
What is the InChIKey of 1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is MLMBBFDGEZUANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-3-20(4-2)17(22)21(13-14-7-6-10-19-12-14)16-9-5-8-15(18)11-16/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea?
1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 301.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 110360744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).