3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea

C16H23FN2O2 — CID 71686940

IUPAC3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
SMILESCN(CC1(C)CCOCC1)C(=O)NCc1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-16(6-8-21-9-7-16)12-19(2)15(20)18-11-13-4-3-5-14(17)10-13/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyUGVRZPPJYVFRDU-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.78
Rot. Bonds4

About 3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea

3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea (PubChem CID 71686940) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
PubChem CID71686940
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
SMILESCN(CC1(C)CCOCC1)C(=O)NCc1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-16(6-8-21-9-7-16)12-19(2)15(20)18-11-13-4-3-5-14(17)10-13/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyUGVRZPPJYVFRDU-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914985
3-[(3-fluorophenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 55007271
4-[(3-fluorophenyl)methylcarbamoyl-methylamino]butanoic acid
CID 43329847
3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78891504
4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66266895
methyl 1-[(3-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184452
5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 110875712
1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742697
2,2-dichloro-N-[(3-fluorophenyl)methyl]-1-methylcyclopropane-1-carboxamide
CID 46447833
1-benzyl-3-[(3-fluorophenyl)methyl]-1-phenylurea
CID 108898536
N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129457932
3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea
CID 53185039

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea (CID 71686940) is 3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea is CN(CC1(C)CCOCC1)C(=O)NCc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea?
The InChIKey is UGVRZPPJYVFRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(6-8-21-9-7-16)12-19(2)15(20)18-11-13-4-3-5-14(17)10-13/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,20).
What are the key properties of 3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea?
3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea has a molecular weight of 294.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea is sourced from PubChem (CID 71686940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).