1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea

C11H14F2N2O2 — CID 111336755

IUPAC1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O2/c1-7(16)4-5-14-11(17)15-10-6-8(12)2-3-9(10)13/h2-3,6-7,16H,4-5H2,1H3,(H2,14,15,17)
InChIKeyMRLKNRFKRMOGDO-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.86
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea

1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea (PubChem CID 111336755) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
PubChem CID111336755
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O2/c1-7(16)4-5-14-11(17)15-10-6-8(12)2-3-9(10)13/h2-3,6-7,16H,4-5H2,1H3,(H2,14,15,17)
InChIKeyMRLKNRFKRMOGDO-UHFFFAOYSA-N
XLogP1.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide
CID 111337517
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111475577
N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337533
1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946
1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea
CID 75522495
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea
CID 111337429
1-(2,5-difluorophenyl)-3-pentan-3-ylurea
CID 47132779
2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463026
1-(2,5-difluorophenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452639
4-[(5-bromo-2-fluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114007198
1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
CID 3873240

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea (CID 111336755) is 1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea?
The InChIKey is MRLKNRFKRMOGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-7(16)4-5-14-11(17)15-10-6-8(12)2-3-9(10)13/h2-3,6-7,16H,4-5H2,1H3,(H2,14,15,17).
What are the key properties of 1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea?
1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea has a molecular weight of 244.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111336755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).