3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea

C15H16F2N2O3 — CID 49480441

IUPAC3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
SMILESCN(Cc1ccco1)C(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C15H16F2N2O3/c1-19(10-13-6-3-7-21-13)15(20)18-9-11-4-2-5-12(8-11)22-14(16)17/h2-8,14H,9-10H2,1H3,(H,18,20)
InChIKeyHNZOLTMDIHYLOZ-UHFFFAOYSA-N
MW310.30 g/mol
LogP3.22
Rot. Bonds6

About 3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea

3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea (PubChem CID 49480441) has the molecular formula C15H16F2N2O3 and a molecular weight of 310.30 g/mol. Its IUPAC name is 3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
PubChem CID49480441
Molecular FormulaC15H16F2N2O3
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Name3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
SMILESCN(Cc1ccco1)C(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C15H16F2N2O3/c1-19(10-13-6-3-7-21-13)15(20)18-9-11-4-2-5-12(8-11)22-14(16)17/h2-8,14H,9-10H2,1H3,(H,18,20)
InChIKeyHNZOLTMDIHYLOZ-UHFFFAOYSA-N
XLogP3.22
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea
CID 49479533
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 47863150
3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 52505087
1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 51084308
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 134038490
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
CID 119763023
1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 38148280
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(furan-2-ylmethyl)-1,2-dimethylguanidine;hydroiodide
CID 111287908
N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352954
N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide
CID 49337433

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea?
The IUPAC name of 3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea (CID 49480441) is 3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea?
The canonical SMILES for 3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea is CN(Cc1ccco1)C(=O)NCc1cccc(OC(F)F)c1.
What is the InChIKey of 3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea?
The InChIKey is HNZOLTMDIHYLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3/c1-19(10-13-6-3-7-21-13)15(20)18-9-11-4-2-5-12(8-11)22-14(16)17/h2-8,14H,9-10H2,1H3,(H,18,20).
What are the key properties of 3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea?
3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea has a molecular weight of 310.30 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea is sourced from PubChem (CID 49480441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).