1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea

C14H21FN2O2 — CID 111472994

IUPAC1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
SMILESCc1ccc(F)cc1NC(=O)NC(CCO)C(C)C
InChIInChI=1S/C14H21FN2O2/c1-9(2)12(6-7-18)16-14(19)17-13-8-11(15)5-4-10(13)3/h4-5,8-9,12,18H,6-7H2,1-3H3,(H2,16,17,19)
InChIKeyXTYZBRCUPDELAU-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.66
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea

1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea (PubChem CID 111472994) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
PubChem CID111472994
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
SMILESCc1ccc(F)cc1NC(=O)NC(CCO)C(C)C
InChIInChI=1S/C14H21FN2O2/c1-9(2)12(6-7-18)16-14(19)17-13-8-11(15)5-4-10(13)3/h4-5,8-9,12,18H,6-7H2,1-3H3,(H2,16,17,19)
InChIKeyXTYZBRCUPDELAU-UHFFFAOYSA-N
XLogP2.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473635
5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid
CID 82844997
(2S)-2-[(5-fluoro-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61191548
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
1-(2,4-difluorophenyl)-3-(4-hydroxybutan-2-yl)urea
CID 78998254
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103852374
3-[(5-fluoro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62671152
(2S)-4-amino-2-[(5-fluoro-2-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 63716082
1-(4-bromo-2-chlorophenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473299
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750829

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea (CID 111472994) is 1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea is Cc1ccc(F)cc1NC(=O)NC(CCO)C(C)C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The InChIKey is XTYZBRCUPDELAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9(2)12(6-7-18)16-14(19)17-13-8-11(15)5-4-10(13)3/h4-5,8-9,12,18H,6-7H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea?
1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea has a molecular weight of 268.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea is sourced from PubChem (CID 111472994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).