methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate

C11H12F2N2O4 — CID 103878987

IUPACmethyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O4/c1-19-10(17)9(16)5-14-11(18)15-8-3-2-6(12)4-7(8)13/h2-4,9,16H,5H2,1H3,(H2,14,15,18)
InChIKeyJSMFSCJOJDETKO-UHFFFAOYSA-N
MW274.22 g/mol
LogP0.62
Rot. Bonds4

About methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate

methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate (PubChem CID 103878987) has the molecular formula C11H12F2N2O4 and a molecular weight of 274.22 g/mol. Its IUPAC name is methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate
PubChem CID103878987
Molecular FormulaC11H12F2N2O4
Molecular Weight274.22 g/mol
Exact Mass274.08
IUPAC Namemethyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O4/c1-19-10(17)9(16)5-14-11(18)15-8-3-2-6(12)4-7(8)13/h2-4,9,16H,5H2,1H3,(H2,14,15,18)
InChIKeyJSMFSCJOJDETKO-UHFFFAOYSA-N
XLogP0.62
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanamide
CID 107258525
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(2,4-difluorophenyl)urea
CID 62668202
1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 46494085
1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea
CID 63237113
1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894556
1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
CID 46647394
1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea
CID 66168207
1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea
CID 144685819
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea
CID 66179176
1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 46457511
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea
CID 51579414
1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 51579250

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate (CID 103878987) is methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate?
The InChIKey is JSMFSCJOJDETKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O4/c1-19-10(17)9(16)5-14-11(18)15-8-3-2-6(12)4-7(8)13/h2-4,9,16H,5H2,1H3,(H2,14,15,18).
What are the key properties of methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate?
methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate has a molecular weight of 274.22 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate is sourced from PubChem (CID 103878987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).