3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea

C14H13F2N3O — CID 47456776

IUPAC3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCN(Cc1ccccn1)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C14H13F2N3O/c1-19(9-10-5-2-3-8-17-10)14(20)18-12-7-4-6-11(15)13(12)16/h2-8H,9H2,1H3,(H,18,20)
InChIKeyBZDJASGJYQPNAT-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.02
Rot. Bonds3

About 3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea

3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea (PubChem CID 47456776) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
PubChem CID47456776
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCN(Cc1ccccn1)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C14H13F2N3O/c1-19(9-10-5-2-3-8-17-10)14(20)18-12-7-4-6-11(15)13(12)16/h2-8H,9H2,1H3,(H,18,20)
InChIKeyBZDJASGJYQPNAT-UHFFFAOYSA-N
XLogP3.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186
1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea
CID 86856279
3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260
4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide
CID 86870098
2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 115678696
1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62051422
2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55105026
1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
CID 51116678
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111840646
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 78967862
4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 47490885

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea (CID 47456776) is 3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea is CN(Cc1ccccn1)C(=O)Nc1cccc(F)c1F.
What is the InChIKey of 3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
The InChIKey is BZDJASGJYQPNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-19(9-10-5-2-3-8-17-10)14(20)18-12-7-4-6-11(15)13(12)16/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea has a molecular weight of 277.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 47456776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).