1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea

C17H16F2N2O — CID 113213951

IUPAC1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESO=C(NCC1(c2ccccc2)CC1)Nc1c(F)cccc1F
InChIInChI=1S/C17H16F2N2O/c18-13-7-4-8-14(19)15(13)21-16(22)20-11-17(9-10-17)12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,20,21,22)
InChIKeyLQFVISNOGFQWCO-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.82
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea

1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 113213951) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
PubChem CID113213951
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESO=C(NCC1(c2ccccc2)CC1)Nc1c(F)cccc1F
InChIInChI=1S/C17H16F2N2O/c18-13-7-4-8-14(19)15(13)21-16(22)20-11-17(9-10-17)12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,20,21,22)
InChIKeyLQFVISNOGFQWCO-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499229
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113215039
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 14977526
1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214053
1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 47039477
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110443182
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea
CID 14977537
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea (CID 113213951) is 1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea is O=C(NCC1(c2ccccc2)CC1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is LQFVISNOGFQWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O/c18-13-7-4-8-14(19)15(13)21-16(22)20-11-17(9-10-17)12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,20,21,22).
What are the key properties of 1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea?
1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 302.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 113213951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).