[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

C18H16FN3O5 — CID 2602179

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H16FN3O5/c19-14-4-2-1-3-13(14)18(26)21-9-16(24)27-10-15(23)22-12-7-5-11(6-8-12)17(20)25/h1-8H,9-10H2,(H2,20,25)(H,21,26)(H,22,23)
InChIKeyCWRWZQWHYAPKPP-UHFFFAOYSA-N
MW373.34 g/mol
LogP0.84
Rot. Bonds7

About [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 2602179) has the molecular formula C18H16FN3O5 and a molecular weight of 373.34 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID2602179
Molecular FormulaC18H16FN3O5
Molecular Weight373.34 g/mol
Exact Mass373.11
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H16FN3O5/c19-14-4-2-1-3-13(14)18(26)21-9-16(24)27-10-15(23)22-12-7-5-11(6-8-12)17(20)25/h1-8H,9-10H2,(H2,20,25)(H,21,26)(H,22,23)
InChIKeyCWRWZQWHYAPKPP-UHFFFAOYSA-N
XLogP0.84
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602170
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4803693
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270497
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4801774
phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899536
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4802522
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269914
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548549
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270550
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270127

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 2602179) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is NC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccccc2F)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is CWRWZQWHYAPKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O5/c19-14-4-2-1-3-13(14)18(26)21-9-16(24)27-10-15(23)22-12-7-5-11(6-8-12)17(20)25/h1-8H,9-10H2,(H2,20,25)(H,21,26)(H,22,23).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 373.34 g/mol, XLogP of 0.84, 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-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 2602179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).