1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea

C17H19FN2O2 — CID 129039724

IUPAC1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea
SMILESCNC(=O)Nc1c(F)cccc1COc1ccc(C)cc1C
InChIInChI=1S/C17H19FN2O2/c1-11-7-8-15(12(2)9-11)22-10-13-5-4-6-14(18)16(13)20-17(21)19-3/h4-9H,10H2,1-3H3,(H2,19,20,21)
InChIKeyCINMQCZHRLZVOH-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.77
Rot. Bonds4

About 1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea

1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea (PubChem CID 129039724) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea
PubChem CID129039724
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea
SMILESCNC(=O)Nc1c(F)cccc1COc1ccc(C)cc1C
InChIInChI=1S/C17H19FN2O2/c1-11-7-8-15(12(2)9-11)22-10-13-5-4-6-14(18)16(13)20-17(21)19-3/h4-9H,10H2,1-3H3,(H2,19,20,21)
InChIKeyCINMQCZHRLZVOH-UHFFFAOYSA-N
XLogP3.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate
CID 129039597
1-[3-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea
CID 129038805
1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane
CID 158130313
1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-3-methylurea
CID 129038787
2-[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl]-N-methyl-2-oxoacetamide
CID 129039162
S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]carbamothioate
CID 129039524
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885457
[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl] methylsulfanylformate
CID 122646159
[2-[(2,4-dimethylphenoxy)methyl]-3-(sulfanylmethyl)phenyl] N-methylcarbamate
CID 122646178
methyl 2-amino-6-[(2,4-dimethylphenoxy)methyl]benzoate
CID 104825290
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319
1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515913

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea?
The IUPAC name of 1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea (CID 129039724) is 1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea.
What is the SMILES notation for 1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea?
The canonical SMILES for 1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea is CNC(=O)Nc1c(F)cccc1COc1ccc(C)cc1C.
What is the InChIKey of 1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea?
The InChIKey is CINMQCZHRLZVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-11-7-8-15(12(2)9-11)22-10-13-5-4-6-14(18)16(13)20-17(21)19-3/h4-9H,10H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea?
1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea has a molecular weight of 302.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea is sourced from PubChem (CID 129039724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).