1-[2-(2,4-difluorophenyl)propyl]-3-(1-hydroxybutan-2-yl)urea

C14H20F2N2O2 — CID 71867607

IUPAC1-[2-(2,4-difluorophenyl)propyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NCC(C)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-3-11(8-19)18-14(20)17-7-9(2)12-5-4-10(15)6-13(12)16/h4-6,9,11,19H,3,7-8H2,1-2H3,(H2,17,18,20)
InChIKeyNLBAOQXUXFXCCD-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.14
Rot. Bonds6

About 1-[2-(2,4-difluorophenyl)propyl]-3-(1-hydroxybutan-2-yl)urea

1-[2-(2,4-difluorophenyl)propyl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 71867607) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)propyl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)propyl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID71867607
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name1-[2-(2,4-difluorophenyl)propyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NCC(C)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-3-11(8-19)18-14(20)17-7-9(2)12-5-4-10(15)6-13(12)16/h4-6,9,11,19H,3,7-8H2,1-2H3,(H2,17,18,20)
InChIKeyNLBAOQXUXFXCCD-UHFFFAOYSA-N
XLogP2.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)propyl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[2-(2,4-difluorophenyl)propyl]-3-(1-hydroxybutan-2-yl)urea (CID 71867607) is 1-[2-(2,4-difluorophenyl)propyl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)propyl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)propyl]-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)NCC(C)c1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)propyl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is NLBAOQXUXFXCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-3-11(8-19)18-14(20)17-7-9(2)12-5-4-10(15)6-13(12)16/h4-6,9,11,19H,3,7-8H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[2-(2,4-difluorophenyl)propyl]-3-(1-hydroxybutan-2-yl)urea?
1-[2-(2,4-difluorophenyl)propyl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 286.32 g/mol, XLogP of 2.14, 6 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)propyl]-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 71867607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).