1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea

C14H20F2N2O2 — CID 66179176

IUPAC1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea
SMILESCC(C)CC(C)(O)CNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-9(2)7-14(3,20)8-17-13(19)18-12-5-4-10(15)6-11(12)16/h4-6,9,20H,7-8H2,1-3H3,(H2,17,18,19)
InChIKeyPQLVVRMTBMQCSX-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.88
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea

1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea (PubChem CID 66179176) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea
PubChem CID66179176
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea
SMILESCC(C)CC(C)(O)CNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-9(2)7-14(3,20)8-17-13(19)18-12-5-4-10(15)6-11(12)16/h4-6,9,20H,7-8H2,1-3H3,(H2,17,18,19)
InChIKeyPQLVVRMTBMQCSX-UHFFFAOYSA-N
XLogP2.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea
CID 66168207
2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66180289
5-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylbenzamide
CID 66179284
N-tert-butyl-2-[(2,4-difluorophenyl)carbamoylamino]acetamide
CID 17424278
4-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002615
4-[(2-fluoro-4-methylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002794
1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213675
methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate
CID 103878987
4-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001200
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
CID 111335598
3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanamide
CID 107258525
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(2,4-difluorophenyl)urea
CID 62668202

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea (CID 66179176) is 1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea is CC(C)CC(C)(O)CNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea?
The InChIKey is PQLVVRMTBMQCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-9(2)7-14(3,20)8-17-13(19)18-12-5-4-10(15)6-11(12)16/h4-6,9,20H,7-8H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea?
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea has a molecular weight of 286.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea is sourced from PubChem (CID 66179176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).