3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea

C15H23F2N3O2 — CID 74242462

IUPAC3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea
SMILESCCN(CCN(C)C)C(=O)Nc1ccc(OC(F)F)cc1C
InChIInChI=1S/C15H23F2N3O2/c1-5-20(9-8-19(3)4)15(21)18-13-7-6-12(10-11(13)2)22-14(16)17/h6-7,10,14H,5,8-9H2,1-4H3,(H,18,21)
InChIKeyYGICEXHKHKLROF-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.01
Rot. Bonds7

About 3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea

3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea (PubChem CID 74242462) has the molecular formula C15H23F2N3O2 and a molecular weight of 315.36 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea
PubChem CID74242462
Molecular FormulaC15H23F2N3O2
Molecular Weight315.36 g/mol
Exact Mass315.18
IUPAC Name3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea
SMILESCCN(CCN(C)C)C(=O)Nc1ccc(OC(F)F)cc1C
InChIInChI=1S/C15H23F2N3O2/c1-5-20(9-8-19(3)4)15(21)18-13-7-6-12(10-11(13)2)22-14(16)17/h6-7,10,14H,5,8-9H2,1-4H3,(H,18,21)
InChIKeyYGICEXHKHKLROF-UHFFFAOYSA-N
XLogP3.01
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea?
The IUPAC name of 3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea (CID 74242462) is 3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea.
What is the SMILES notation for 3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea?
The canonical SMILES for 3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea is CCN(CCN(C)C)C(=O)Nc1ccc(OC(F)F)cc1C.
What is the InChIKey of 3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea?
The InChIKey is YGICEXHKHKLROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2/c1-5-20(9-8-19(3)4)15(21)18-13-7-6-12(10-11(13)2)22-14(16)17/h6-7,10,14H,5,8-9H2,1-4H3,(H,18,21).
What are the key properties of 3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea?
3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea has a molecular weight of 315.36 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)-2-methylphenyl]-1-[2-(dimethylamino)ethyl]-1-ethylurea is sourced from PubChem (CID 74242462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).