1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea

C15H22F2N2O2 — CID 111338565

IUPAC1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
SMILESCCC(C)C(O)CNC(=O)NCCc1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2O2/c1-3-10(2)14(20)9-19-15(21)18-7-6-11-4-5-12(16)8-13(11)17/h4-5,8,10,14,20H,3,6-7,9H2,1-2H3,(H2,18,19,21)
InChIKeyVJKIOSZRJBUMTN-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.21
Rot. Bonds7

About 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea

1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea (PubChem CID 111338565) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
PubChem CID111338565
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
SMILESCCC(C)C(O)CNC(=O)NCCc1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2O2/c1-3-10(2)14(20)9-19-15(21)18-7-6-11-4-5-12(16)8-13(11)17/h4-5,8,10,14,20H,3,6-7,9H2,1-2H3,(H2,18,19,21)
InChIKeyVJKIOSZRJBUMTN-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-3-methylpentyl)-3-[2-(3,4,5-trifluorophenyl)ethyl]urea
CID 110024785
1-[(2-bromo-5-fluorophenyl)methyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111338195
1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 111118085
N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186704
N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121478
1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea
CID 110775874
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111538524
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxyacetamide
CID 115140069
(2S,3S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 62227396
1-butan-2-yl-3-[2-(2,4-difluorophenyl)ethyl]-2-methylguanidine
CID 111545419
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789003
3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea?
The IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea (CID 111338565) is 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea is CCC(C)C(O)CNC(=O)NCCc1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea?
The InChIKey is VJKIOSZRJBUMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-3-10(2)14(20)9-19-15(21)18-7-6-11-4-5-12(16)8-13(11)17/h4-5,8,10,14,20H,3,6-7,9H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea?
1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea has a molecular weight of 300.35 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea is sourced from PubChem (CID 111338565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).