1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea

C11H14F2N2O2 — CID 115168702

IUPAC1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1cc(F)c(CCN(C)C(N)=O)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-15(11(14)16)4-3-7-5-9(13)10(17-2)6-8(7)12/h5-6H,3-4H2,1-2H3,(H2,14,16)
InChIKeyZVKHDTKRQCPLIC-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.53
Rot. Bonds4

About 1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea

1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea (PubChem CID 115168702) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea
PubChem CID115168702
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1cc(F)c(CCN(C)C(N)=O)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-15(11(14)16)4-3-7-5-9(13)10(17-2)6-8(7)12/h5-6H,3-4H2,1-2H3,(H2,14,16)
InChIKeyZVKHDTKRQCPLIC-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide
CID 115151774
2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260283
1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168734
2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylcyanamide
CID 117043560
3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide
CID 116843529
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide
CID 115175825
1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea
CID 3052715
2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847504
2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid
CID 115171185
1-amino-3-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]urea
CID 115192963
3-(2,5-difluoro-4-methoxyphenyl)propanal
CID 73014070
2-[2-(2,5-difluoro-4-methoxyphenyl)ethylamino]acetic acid
CID 112518457

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea (CID 115168702) is 1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea is COc1cc(F)c(CCN(C)C(N)=O)cc1F.
What is the InChIKey of 1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea?
The InChIKey is ZVKHDTKRQCPLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-15(11(14)16)4-3-7-5-9(13)10(17-2)6-8(7)12/h5-6H,3-4H2,1-2H3,(H2,14,16).
What are the key properties of 1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea?
1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea has a molecular weight of 244.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 115168702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).