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

C14H14F2N2O3 — CID 49479533

IUPAC1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea
SMILESO=C(NCc1ccoc1)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C14H14F2N2O3/c15-13(16)21-12-3-1-2-10(6-12)7-17-14(19)18-8-11-4-5-20-9-11/h1-6,9,13H,7-8H2,(H2,17,18,19)
InChIKeyIUTJFVABCMOMKM-UHFFFAOYSA-N
MW296.27 g/mol
LogP2.88
Rot. Bonds6

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

1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea (PubChem CID 49479533) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea
PubChem CID49479533
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Name1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea
SMILESO=C(NCc1ccoc1)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C14H14F2N2O3/c15-13(16)21-12-3-1-2-10(6-12)7-17-14(19)18-8-11-4-5-20-9-11/h1-6,9,13H,7-8H2,(H2,17,18,19)
InChIKeyIUTJFVABCMOMKM-UHFFFAOYSA-N
XLogP2.88
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
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-[(2-fluorophenyl)methyl]urea
CID 49467023
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618724
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 49480282
1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea
CID 169150536
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111505510
N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide
CID 49337433
(2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 94387178
1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea
CID 47038823
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea?
The IUPAC name of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea (CID 49479533) is 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea.
What is the SMILES notation for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea?
The canonical SMILES for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea is O=C(NCc1ccoc1)NCc1cccc(OC(F)F)c1.
What is the InChIKey of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea?
The InChIKey is IUTJFVABCMOMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c15-13(16)21-12-3-1-2-10(6-12)7-17-14(19)18-8-11-4-5-20-9-11/h1-6,9,13H,7-8H2,(H2,17,18,19).
What are the key properties of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea?
1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea has a molecular weight of 296.27 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea is sourced from PubChem (CID 49479533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).