1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea

C14H20F2N2O3 — CID 111103722

IUPAC1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
SMILESCC(C)COCC(O)CNC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C14H20F2N2O3/c1-9(2)7-21-8-10(19)6-17-14(20)18-12-5-3-4-11(15)13(12)16/h3-5,9-10,19H,6-8H2,1-2H3,(H2,17,18,20)
InChIKeyXKELSKPFZHGSJV-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.12
Rot. Bonds7

About 1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea

1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea (PubChem CID 111103722) has the molecular formula C14H20F2N2O3 and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
PubChem CID111103722
Molecular FormulaC14H20F2N2O3
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
SMILESCC(C)COCC(O)CNC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C14H20F2N2O3/c1-9(2)7-21-8-10(19)6-17-14(20)18-12-5-3-4-11(15)13(12)16/h3-5,9-10,19H,6-8H2,1-2H3,(H2,17,18,20)
InChIKeyXKELSKPFZHGSJV-UHFFFAOYSA-N
XLogP2.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea
CID 87007219
3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167999
1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 110908500
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide
CID 111662700
1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea
CID 87007221
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide
CID 75386334
1-amino-3-(2,3-difluorophenyl)urea
CID 61075420
N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide
CID 94060411
2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide
CID 86856275
2-[2-[(2,3-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463827
3-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]but-2-enamide
CID 111697749
N-(2,3-difluorophenyl)-4-hydroxypentanamide
CID 79193547

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea?
The IUPAC name of 1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea (CID 111103722) is 1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea is CC(C)COCC(O)CNC(=O)Nc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea?
The InChIKey is XKELSKPFZHGSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3/c1-9(2)7-21-8-10(19)6-17-14(20)18-12-5-3-4-11(15)13(12)16/h3-5,9-10,19H,6-8H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea?
1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea has a molecular weight of 302.32 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea is sourced from PubChem (CID 111103722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).