1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea

C18H18F2N2O2 — CID 47039477

IUPAC1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea
SMILESO=C(NCC1(c2ccccc2)CC1)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C18H18F2N2O2/c19-16(20)24-15-8-4-7-14(11-15)22-17(23)21-12-18(9-10-18)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2,(H2,21,22,23)
InChIKeyAFLDESGZFGHQCY-UHFFFAOYSA-N
MW332.35 g/mol
LogP4.14
Rot. Bonds6

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

1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 47039477) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea
PubChem CID47039477
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea
SMILESO=C(NCC1(c2ccccc2)CC1)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C18H18F2N2O2/c19-16(20)24-15-8-4-7-14(11-15)22-17(23)21-12-18(9-10-18)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2,(H2,21,22,23)
InChIKeyAFLDESGZFGHQCY-UHFFFAOYSA-N
XLogP4.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771
1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea
CID 47039486
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 56586698
1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113215039
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213951
1-[3-(difluoromethoxy)phenyl]-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea
CID 51081801
1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473727
1-[3-(difluoromethoxy)phenyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55738450
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(4-phenylmethoxyphenyl)urea
CID 113214398
1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214427

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea (CID 47039477) is 1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea is O=C(NCC1(c2ccccc2)CC1)Nc1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is AFLDESGZFGHQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-16(20)24-15-8-4-7-14(11-15)22-17(23)21-12-18(9-10-18)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2,(H2,21,22,23).
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea?
1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 332.35 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 47039477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).