1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea

C18H18F2N2O — CID 113215039

IUPAC1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea
SMILESO=C(NCC1(c2ccccc2)CCC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2O/c19-15-8-7-14(11-16(15)20)22-17(23)21-12-18(9-4-10-18)13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2,(H2,21,22,23)
InChIKeyBMQDMWJQLCESAE-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.21
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea

1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea (PubChem CID 113215039) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea
PubChem CID113215039
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea
SMILESO=C(NCC1(c2ccccc2)CCC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2O/c19-15-8-7-14(11-16(15)20)22-17(23)21-12-18(9-4-10-18)13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2,(H2,21,22,23)
InChIKeyBMQDMWJQLCESAE-UHFFFAOYSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214427
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
CID 42335594
1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213951
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 47039477
3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide
CID 95100723
1-(3,4-difluorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea
CID 20779423
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate
CID 14977501

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea (CID 113215039) is 1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea is O=C(NCC1(c2ccccc2)CCC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea?
The InChIKey is BMQDMWJQLCESAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c19-15-8-7-14(11-16(15)20)22-17(23)21-12-18(9-4-10-18)13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2,(H2,21,22,23).
What are the key properties of 1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea?
1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea has a molecular weight of 316.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea is sourced from PubChem (CID 113215039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).