1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea

C11H14F2N2O2 — CID 110908511

IUPAC1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C11H14F2N2O2/c1-2-7(6-16)14-11(17)15-9-5-3-4-8(12)10(9)13/h3-5,7,16H,2,6H2,1H3,(H2,14,15,17)
InChIKeyKLKNXRKCBVDXJT-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.86
Rot. Bonds4

About 1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea

1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea (PubChem CID 110908511) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
PubChem CID110908511
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C11H14F2N2O2/c1-2-7(6-16)14-11(17)15-9-5-3-4-8(12)10(9)13/h3-5,7,16H,2,6H2,1H3,(H2,14,15,17)
InChIKeyKLKNXRKCBVDXJT-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

1-pentan-3-yl-3-(2,3,4-trifluorophenyl)urea
CID 47132828
1-(1,3-dihydroxypropan-2-yl)-3-(2-fluorophenyl)urea
CID 5130491
1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea
CID 63767489
N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
CID 40714989
1-(4-bromo-2-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110890470
1-[2-(difluoromethylsulfanyl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890916
1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 75379402
1-(2,5-difluorophenyl)-3-pentan-3-ylurea
CID 47132779
2-[(2,3-difluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 61207863
N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47457392
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea (CID 110908511) is 1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)Nc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is KLKNXRKCBVDXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-2-7(6-16)14-11(17)15-9-5-3-4-8(12)10(9)13/h3-5,7,16H,2,6H2,1H3,(H2,14,15,17).
What are the key properties of 1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea?
1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)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-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 110908511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).