3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea

C16H18FN3O — CID 110362940

IUPAC3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C16H18FN3O/c1-20(2)16(21)19-11-14(15-5-3-4-10-18-15)12-6-8-13(17)9-7-12/h3-10,14H,11H2,1-2H3,(H,19,21)
InChIKeyOPCQNLOYRGSWAF-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.62
Rot. Bonds4

About 3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea

3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea (PubChem CID 110362940) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea
PubChem CID110362940
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C16H18FN3O/c1-20(2)16(21)19-11-14(15-5-3-4-10-18-15)12-6-8-13(17)9-7-12/h3-10,14H,11H2,1-2H3,(H,19,21)
InChIKeyOPCQNLOYRGSWAF-UHFFFAOYSA-N
XLogP2.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]furan-2-carboxamide
CID 16928028
N-(2-phenyl-2-pyridin-2-ylethyl)acetamide
CID 16927789
methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16927927
2,2-dimethyl-N-(2-phenyl-2-pyridin-2-ylethyl)propanamide
CID 16927739
[2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid
CID 155128689
methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16928325
N-benzyl-2-(4-fluorophenyl)-N-methyl-2-pyridin-2-ylacetamide
CID 110373544
2-(4-fluorophenyl)-2-pyridin-2-ylethanamine
CID 82040232
2-ethyl-N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]butanamide
CID 16928268
N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide
CID 110362944
N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110362945
N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide
CID 110362898

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea (CID 110362940) is 3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea is CN(C)C(=O)NCC(c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea?
The InChIKey is OPCQNLOYRGSWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-20(2)16(21)19-11-14(15-5-3-4-10-18-15)12-6-8-13(17)9-7-12/h3-10,14H,11H2,1-2H3,(H,19,21).
What are the key properties of 3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea?
3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea has a molecular weight of 287.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea is sourced from PubChem (CID 110362940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).