[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate

C17H15FN2O4 — CID 7971704

IUPAC[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H15FN2O4/c1-11-6-8-12(9-7-11)16(22)24-10-15(21)20-17(23)19-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H2,19,20,21,23)
InChIKeyMTZDGEZQMNGZLF-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.64
Rot. Bonds4

About [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate (PubChem CID 7971704) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate
PubChem CID7971704
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H15FN2O4/c1-11-6-8-12(9-7-11)16(22)24-10-15(21)20-17(23)19-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H2,19,20,21,23)
InChIKeyMTZDGEZQMNGZLF-UHFFFAOYSA-N
XLogP2.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771265
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7720946
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8572691
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927399
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 40721484
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,2-diphenylacetate
CID 8578708
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795318
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-bromobenzoate
CID 2625552
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate
CID 2523545
[2-(2-fluoroanilino)-2-oxoethyl] 4-(3-methylbutoxy)benzoate
CID 42966092
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 9380501
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate?
The IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate (CID 7971704) is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate.
What is the SMILES notation for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate?
The canonical SMILES for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate?
The InChIKey is MTZDGEZQMNGZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-11-6-8-12(9-7-11)16(22)24-10-15(21)20-17(23)19-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H2,19,20,21,23).
What are the key properties of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate?
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate has a molecular weight of 330.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate is sourced from PubChem (CID 7971704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).