1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea

C10H13FN2O2 — CID 126789448

IUPAC1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea
SMILESCNC(=O)Nc1cc(F)c(OC)cc1C
InChIInChI=1S/C10H13FN2O2/c1-6-4-9(15-3)7(11)5-8(6)13-10(14)12-2/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyRVOGLTSGJWQGLW-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.89
Rot. Bonds2

About 1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea

1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea (PubChem CID 126789448) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea
PubChem CID126789448
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea
SMILESCNC(=O)Nc1cc(F)c(OC)cc1C
InChIInChI=1S/C10H13FN2O2/c1-6-4-9(15-3)7(11)5-8(6)13-10(14)12-2/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyRVOGLTSGJWQGLW-UHFFFAOYSA-N
XLogP1.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea
CID 115168877
1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea
CID 115168887
1-[bis(1-methylimidazol-2-yl)methyl]-3-(5-fluoro-4-methoxy-2-methylphenyl)urea
CID 126822365
2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid
CID 82501882
1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea
CID 175200218
5-cyclopropyl-N-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 166241001
5-fluoro-4-methoxy-2-methylbenzoic acid
CID 84769291
(4,5-dimethoxy-2-methylphenyl)urea
CID 82492626
1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea
CID 18006545
(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 54996224
2,5-difluoro-4-methoxy-N-methylaniline
CID 82648042
2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide
CID 27669456

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea?
The IUPAC name of 1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea (CID 126789448) is 1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea.
What is the SMILES notation for 1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea?
The canonical SMILES for 1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea is CNC(=O)Nc1cc(F)c(OC)cc1C.
What is the InChIKey of 1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea?
The InChIKey is RVOGLTSGJWQGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6-4-9(15-3)7(11)5-8(6)13-10(14)12-2/h4-5H,1-3H3,(H2,12,13,14).
What are the key properties of 1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea?
1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea has a molecular weight of 212.22 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea is sourced from PubChem (CID 126789448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).