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

C17H15F3N2O — CID 113214427

IUPAC1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H15F3N2O/c18-12-3-1-11(2-4-12)17(7-8-17)10-21-16(23)22-13-5-6-14(19)15(20)9-13/h1-6,9H,7-8,10H2,(H2,21,22,23)
InChIKeyPHBNMUOSTPPQOI-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.96
Rot. Bonds4

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

1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea (PubChem CID 113214427) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
PubChem CID113214427
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H15F3N2O/c18-12-3-1-11(2-4-12)17(7-8-17)10-21-16(23)22-13-5-6-14(19)15(20)9-13/h1-6,9H,7-8,10H2,(H2,21,22,23)
InChIKeyPHBNMUOSTPPQOI-UHFFFAOYSA-N
XLogP3.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
CID 42335594
1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113215039
1-(4-cyanophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214424
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(4-phenylmethoxyphenyl)urea
CID 113214398
1-(3,4-difluorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea
CID 20779423
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 60555754
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea
CID 113214561
1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214403
N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
CID 42335602
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea (CID 113214427) is 1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea is O=C(NCC1(c2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
The InChIKey is PHBNMUOSTPPQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c18-12-3-1-11(2-4-12)17(7-8-17)10-21-16(23)22-13-5-6-14(19)15(20)9-13/h1-6,9H,7-8,10H2,(H2,21,22,23).
What are the key properties of 1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea has a molecular weight of 320.31 g/mol, XLogP of 3.96, 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-(4-fluorophenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 113214427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).