3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea

C15H21FN2O2 — CID 110875744

IUPAC3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
SMILESCN(CC1CCOCC1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-18(11-13-6-8-20-9-7-13)15(19)17-10-12-2-4-14(16)5-3-12/h2-5,13H,6-11H2,1H3,(H,17,19)
InChIKeyRBVSPTXTGSMSHZ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.39
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea

3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea (PubChem CID 110875744) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
PubChem CID110875744
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
SMILESCN(CC1CCOCC1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O2/c1-18(11-13-6-8-20-9-7-13)15(19)17-10-12-2-4-14(16)5-3-12/h2-5,13H,6-11H2,1H3,(H,17,19)
InChIKeyRBVSPTXTGSMSHZ-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[methyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]benzoic acid
CID 119068665
3-[(3-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914985
2-(4-fluorophenyl)-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 95973496
2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 95973495
3-benzyl-1-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-1-methylurea
CID 171487588
1-methyl-1-(oxan-4-ylmethyl)-3-propylurea
CID 110752121
4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 113344764
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736373
3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905258
1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea
CID 110875739
3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 73167821
3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 91905754

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea (CID 110875744) is 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea is CN(CC1CCOCC1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea?
The InChIKey is RBVSPTXTGSMSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18(11-13-6-8-20-9-7-13)15(19)17-10-12-2-4-14(16)5-3-12/h2-5,13H,6-11H2,1H3,(H,17,19).
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea?
3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea has a molecular weight of 280.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 110875744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).