1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea

C10H13FN2O2 — CID 115168962

IUPAC1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C10H13FN2O2/c1-12-10(14)13(2)7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)
InChIKeyLUMAGZWFAWQSJR-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.61
Rot. Bonds2

About 1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea

1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea (PubChem CID 115168962) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea
PubChem CID115168962
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C10H13FN2O2/c1-12-10(14)13(2)7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)
InChIKeyLUMAGZWFAWQSJR-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178621
1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one
CID 115234535
3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
CID 115154887
2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 139020691
N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 115159991
3-cyano-N-(3-fluoro-4-methoxyphenyl)-N-methyloxetane-3-carboxamide
CID 115184634
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide
CID 115157259
N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115183989
(2S,4S)-N-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpiperidine-4-carboxamide
CID 120637188
1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea
CID 115168970
1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea
CID 115168976

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea (CID 115168962) is 1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea is CNC(=O)N(C)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea?
The InChIKey is LUMAGZWFAWQSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-12-10(14)13(2)7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14).
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea?
1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea has a molecular weight of 212.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea is sourced from PubChem (CID 115168962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).