1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea

C18H21FN2O3 — CID 111473971

IUPAC1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O3/c1-13(9-10-22)12-20-18(23)21-15-5-7-16(8-6-15)24-17-4-2-3-14(19)11-17/h2-8,11,13,22H,9-10,12H2,1H3,(H2,20,21,23)
InChIKeyQNNUINDYMIAPSN-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.76
Rot. Bonds7

About 1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea

1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111473971) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111473971
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O3/c1-13(9-10-22)12-20-18(23)21-15-5-7-16(8-6-15)24-17-4-2-3-14(19)11-17/h2-8,11,13,22H,9-10,12H2,1H3,(H2,20,21,23)
InChIKeyQNNUINDYMIAPSN-UHFFFAOYSA-N
XLogP3.76
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508454
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473952
1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473727
1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473009
1-(4-hydroxy-2-methylbutyl)-3-[4-(3-methylbutoxy)phenyl]urea
CID 111521334
1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea
CID 111472820
1-(4-hydroxy-2-methylbutyl)-3-(3-prop-2-ynoxyphenyl)urea
CID 111474745
2-chloro-N-[4-(3-fluorophenoxy)phenyl]acetamide
CID 39379903
1-[2-(3-fluorophenoxy)propyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111508432
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473970
1-(3-cyano-4-fluorophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111474619
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea (CID 111473971) is 1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea is CC(CCO)CNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1.
What is the InChIKey of 1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is QNNUINDYMIAPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-13(9-10-22)12-20-18(23)21-15-5-7-16(8-6-15)24-17-4-2-3-14(19)11-17/h2-8,11,13,22H,9-10,12H2,1H3,(H2,20,21,23).
What are the key properties of 1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea?
1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 332.38 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111473971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).