[2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate

C19H18FN3O4 — CID 42316342

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate
SMILESCn1c(=O)n(CCC(=O)OCC(=O)Nc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C19H18FN3O4/c1-22-15-7-2-3-8-16(15)23(19(22)26)10-9-18(25)27-12-17(24)21-14-6-4-5-13(20)11-14/h2-8,11H,9-10,12H2,1H3,(H,21,24)
InChIKeyOUSKUJFMACLYMC-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.05
Rot. Bonds6

About [2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate

[2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate (PubChem CID 42316342) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate
PubChem CID42316342
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate
SMILESCn1c(=O)n(CCC(=O)OCC(=O)Nc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C19H18FN3O4/c1-22-15-7-2-3-8-16(15)23(19(22)26)10-9-18(25)27-12-17(24)21-14-6-4-5-13(20)11-14/h2-8,11H,9-10,12H2,1H3,(H,21,24)
InChIKeyOUSKUJFMACLYMC-UHFFFAOYSA-N
XLogP2.05
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 38613381
[2-(3-fluoroanilino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587301
[2-(3-fluoroanilino)-2-oxoethyl] 3-acetamidopropanoate
CID 7197279
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate
CID 42316196
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide
CID 18139030
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 24564807
[2-(3-chloroanilino)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8725899
[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589788
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 155946246
[2-(3-fluoroanilino)-2-oxoethyl] but-2-enoate
CID 5254570
[2-(3-fluoroanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7168529

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate (CID 42316342) is [2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate is Cn1c(=O)n(CCC(=O)OCC(=O)Nc2cccc(F)c2)c2ccccc21.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate?
The InChIKey is OUSKUJFMACLYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-22-15-7-2-3-8-16(15)23(19(22)26)10-9-18(25)27-12-17(24)21-14-6-4-5-13(20)11-14/h2-8,11H,9-10,12H2,1H3,(H,21,24).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate?
[2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate has a molecular weight of 371.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate is sourced from PubChem (CID 42316342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).