1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea

C14H21FN2O3 — CID 111473635

IUPAC1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
SMILESCOc1cc(F)ccc1NC(=O)NC(CCO)C(C)C
InChIInChI=1S/C14H21FN2O3/c1-9(2)11(6-7-18)16-14(19)17-12-5-4-10(15)8-13(12)20-3/h4-5,8-9,11,18H,6-7H2,1-3H3,(H2,16,17,19)
InChIKeyWSAGHBPAVGHBIR-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.36
Rot. Bonds6

About 1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea

1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea (PubChem CID 111473635) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
PubChem CID111473635
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
SMILESCOc1cc(F)ccc1NC(=O)NC(CCO)C(C)C
InChIInChI=1S/C14H21FN2O3/c1-9(2)11(6-7-18)16-14(19)17-12-5-4-10(15)8-13(12)20-3/h4-5,8-9,11,18H,6-7H2,1-3H3,(H2,16,17,19)
InChIKeyWSAGHBPAVGHBIR-UHFFFAOYSA-N
XLogP2.36
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111472994
2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62474332
(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
CID 79013529
1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 55697257
1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453003
(2R)-2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910096
1-(2,4-difluorophenyl)-3-(4-hydroxybutan-2-yl)urea
CID 78998254
3-(4-fluoro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898275
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
1-(2,2-diethyl-4-hydroxybutyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 111521074
1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea
CID 55697289
2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
CID 79349865

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea (CID 111473635) is 1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea is COc1cc(F)ccc1NC(=O)NC(CCO)C(C)C.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The InChIKey is WSAGHBPAVGHBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-9(2)11(6-7-18)16-14(19)17-12-5-4-10(15)8-13(12)20-3/h4-5,8-9,11,18H,6-7H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea?
1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea has a molecular weight of 284.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea is sourced from PubChem (CID 111473635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).