1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea

C14H14FN3O — CID 17403084

IUPAC1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
SMILESCN(Cc1cccc(F)c1)C(=O)Nc1cccnc1
InChIInChI=1S/C14H14FN3O/c1-18(10-11-4-2-5-12(15)8-11)14(19)17-13-6-3-7-16-9-13/h2-9H,10H2,1H3,(H,17,19)
InChIKeyOHCFYZSJPAUHMP-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.88
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea

1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea (PubChem CID 17403084) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
PubChem CID17403084
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
SMILESCN(Cc1cccc(F)c1)C(=O)Nc1cccnc1
InChIInChI=1S/C14H14FN3O/c1-18(10-11-4-2-5-12(15)8-11)14(19)17-13-6-3-7-16-9-13/h2-9H,10H2,1H3,(H,17,19)
InChIKeyOHCFYZSJPAUHMP-UHFFFAOYSA-N
XLogP2.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 86988170
1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea
CID 86988690
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86988074
1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17393832
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide
CID 87010607
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-nitrophenyl)urea
CID 86976512
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157620
3-[4-(cyanomethyl)phenyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86987977
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 61340772
3-[3-(1,3-dithiolan-2-yl)phenyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78875031

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea (CID 17403084) is 1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea is CN(Cc1cccc(F)c1)C(=O)Nc1cccnc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea?
The InChIKey is OHCFYZSJPAUHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-18(10-11-4-2-5-12(15)8-11)14(19)17-13-6-3-7-16-9-13/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea?
1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea has a molecular weight of 259.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea is sourced from PubChem (CID 17403084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).