1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C13H17FN2O3 — CID 111572987

IUPAC1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCOc1cc(F)ccc1NC(=O)NCC1(CO)CC1
InChIInChI=1S/C13H17FN2O3/c1-19-11-6-9(14)2-3-10(11)16-12(18)15-7-13(8-17)4-5-13/h2-3,6,17H,4-5,7-8H2,1H3,(H2,15,16,18)
InChIKeySZZIACDYXHUTGY-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.73
Rot. Bonds5

About 1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 111572987) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID111572987
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCOc1cc(F)ccc1NC(=O)NCC1(CO)CC1
InChIInChI=1S/C13H17FN2O3/c1-19-11-6-9(14)2-3-10(11)16-12(18)15-7-13(8-17)4-5-13/h2-3,6,17H,4-5,7-8H2,1H3,(H2,15,16,18)
InChIKeySZZIACDYXHUTGY-UHFFFAOYSA-N
XLogP1.73
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111573295
1-(2,4-difluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683139
N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107025875
1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 47248250
1-(2-fluoro-5-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572929
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
1-(2,2-diethyl-4-hydroxybutyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 111521074
1-(4-fluoro-2-methoxyphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631374
1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453003
methyl 6-[(4-fluoro-2-methoxyphenyl)carbamoylamino]hexanoate
CID 78890634
1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111453694
1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 86988561

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 111572987) is 1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is COc1cc(F)ccc1NC(=O)NCC1(CO)CC1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is SZZIACDYXHUTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-19-11-6-9(14)2-3-10(11)16-12(18)15-7-13(8-17)4-5-13/h2-3,6,17H,4-5,7-8H2,1H3,(H2,15,16,18).
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 268.29 g/mol, XLogP of 1.73, 5 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-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 111572987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).