1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea

C11H14FN3O3 — CID 23274858

IUPAC1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)C(=O)Nc1cc(OC)ccc1F
InChIInChI=1S/C11H14FN3O3/c1-13-10(16)15(2)11(17)14-9-6-7(18-3)4-5-8(9)12/h4-6H,1-3H3,(H,13,16)(H,14,17)
InChIKeyNVDXFDUKTBCVBI-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.64
Rot. Bonds2

About 1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea

1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea (PubChem CID 23274858) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea
PubChem CID23274858
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)C(=O)Nc1cc(OC)ccc1F
InChIInChI=1S/C11H14FN3O3/c1-13-10(16)15(2)11(17)14-9-6-7(18-3)4-5-8(9)12/h4-6H,1-3H3,(H,13,16)(H,14,17)
InChIKeyNVDXFDUKTBCVBI-UHFFFAOYSA-N
XLogP1.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea?
The IUPAC name of 1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea (CID 23274858) is 1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea?
The canonical SMILES for 1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea is CNC(=O)N(C)C(=O)Nc1cc(OC)ccc1F.
What is the InChIKey of 1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea?
The InChIKey is NVDXFDUKTBCVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-13-10(16)15(2)11(17)14-9-6-7(18-3)4-5-8(9)12/h4-6H,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea?
1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea has a molecular weight of 255.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3-dimethylurea is sourced from PubChem (CID 23274858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).