[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate

C22H18FN3O4 — CID 4791061

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H18FN3O4/c23-15-7-11-16(12-8-15)25-19-4-2-1-3-18(19)22(29)30-13-20(27)26-17-9-5-14(6-10-17)21(24)28/h1-12,25H,13H2,(H2,24,28)(H,26,27)
InChIKeyWGIGUJFZNUVYHA-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.46
Rot. Bonds7

About [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate

[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate (PubChem CID 4791061) has the molecular formula C22H18FN3O4 and a molecular weight of 407.40 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate
PubChem CID4791061
Molecular FormulaC22H18FN3O4
Molecular Weight407.40 g/mol
Exact Mass407.13
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H18FN3O4/c23-15-7-11-16(12-8-15)25-19-4-2-1-3-18(19)22(29)30-13-20(27)26-17-9-5-14(6-10-17)21(24)28/h1-12,25H,13H2,(H2,24,28)(H,26,27)
InChIKeyWGIGUJFZNUVYHA-UHFFFAOYSA-N
XLogP3.46
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-fluoroanilino)benzoate
CID 2611917
[2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate
CID 2611926
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 7857721
[2-(dimethylamino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate
CID 18074805
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 3694895
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605601
[2-(4-carbamoylanilino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4148132
[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606526
[2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 7752549
[2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503755
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-anilinobenzoate
CID 3287934

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate (CID 4791061) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate is NC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate?
The InChIKey is WGIGUJFZNUVYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4/c23-15-7-11-16(12-8-15)25-19-4-2-1-3-18(19)22(29)30-13-20(27)26-17-9-5-14(6-10-17)21(24)28/h1-12,25H,13H2,(H2,24,28)(H,26,27).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate has a molecular weight of 407.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate is sourced from PubChem (CID 4791061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).