1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea

C19H20F2N2O — CID 166317834

IUPAC1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea
SMILESCN(C(=O)NC1(Cc2cccc(F)c2)CCC1)c1ccc(F)cc1
InChIInChI=1S/C19H20F2N2O/c1-23(17-8-6-15(20)7-9-17)18(24)22-19(10-3-11-19)13-14-4-2-5-16(21)12-14/h2,4-9,12H,3,10-11,13H2,1H3,(H,22,24)
InChIKeyIYFLHILRLPDQED-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.28
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea

1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea (PubChem CID 166317834) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea
PubChem CID166317834
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea
SMILESCN(C(=O)NC1(Cc2cccc(F)c2)CCC1)c1ccc(F)cc1
InChIInChI=1S/C19H20F2N2O/c1-23(17-8-6-15(20)7-9-17)18(24)22-19(10-3-11-19)13-14-4-2-5-16(21)12-14/h2,4-9,12H,3,10-11,13H2,1H3,(H,22,24)
InChIKeyIYFLHILRLPDQED-UHFFFAOYSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-(4-fluorophenyl)-1-methylurea
CID 166317920
1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163040
2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide
CID 166418624
2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79842490
5-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1,3-oxazole-4-carboxamide
CID 139008423
2-ethyl-N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-5-methyltriazole-4-carboxamide
CID 138996708
4-[[[1-[(3-fluorophenyl)methyl]cyclobutyl]amino]methyl]benzoic acid
CID 122033086
2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851463
1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65194237
2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851387
1-[4-(dimethylamino)phenyl]-3-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methylurea
CID 177198527
1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 108901132

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea?
The IUPAC name of 1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea (CID 166317834) is 1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea is CN(C(=O)NC1(Cc2cccc(F)c2)CCC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea?
The InChIKey is IYFLHILRLPDQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-23(17-8-6-15(20)7-9-17)18(24)22-19(10-3-11-19)13-14-4-2-5-16(21)12-14/h2,4-9,12H,3,10-11,13H2,1H3,(H,22,24).
What are the key properties of 1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea?
1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea has a molecular weight of 330.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea is sourced from PubChem (CID 166317834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).