1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea

C16H23FN2O3 — CID 111439162

IUPAC1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
SMILESO=C(NCc1ccc(O)c(F)c1)NCC1(O)CCCCCC1
InChIInChI=1S/C16H23FN2O3/c17-13-9-12(5-6-14(13)20)10-18-15(21)19-11-16(22)7-3-1-2-4-8-16/h5-6,9,20,22H,1-4,7-8,10-11H2,(H2,18,19,21)
InChIKeyPQEPZKLQBHTSER-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.42
Rot. Bonds4

About 1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea

1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea (PubChem CID 111439162) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea.

Molecular Properties

Compound Name1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
PubChem CID111439162
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
SMILESO=C(NCc1ccc(O)c(F)c1)NCC1(O)CCCCCC1
InChIInChI=1S/C16H23FN2O3/c17-13-9-12(5-6-14(13)20)10-18-15(21)19-11-16(22)7-3-1-2-4-8-16/h5-6,9,20,22H,1-4,7-8,10-11H2,(H2,18,19,21)
InChIKeyPQEPZKLQBHTSER-UHFFFAOYSA-N
XLogP2.42
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426880
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936095
1-[(3-cyanophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936552
1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111425507
2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 107685782
1-[(5-cyano-2-fluorophenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111508720
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426710
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
1-[(1-hydroxycycloheptyl)methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111426686
N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 65122861

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea?
The IUPAC name of 1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea (CID 111439162) is 1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea.
What is the SMILES notation for 1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea?
The canonical SMILES for 1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea is O=C(NCc1ccc(O)c(F)c1)NCC1(O)CCCCCC1.
What is the InChIKey of 1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea?
The InChIKey is PQEPZKLQBHTSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c17-13-9-12(5-6-14(13)20)10-18-15(21)19-11-16(22)7-3-1-2-4-8-16/h5-6,9,20,22H,1-4,7-8,10-11H2,(H2,18,19,21).
What are the key properties of 1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea?
1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea has a molecular weight of 310.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea is sourced from PubChem (CID 111439162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).