[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate

C23H17N3O4 — CID 9309799

IUPAC[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate
SMILESN#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C23H17N3O4/c24-14-16-8-4-5-11-18(16)19-12-6-7-13-20(19)22(28)30-15-21(27)26-23(29)25-17-9-2-1-3-10-17/h1-13H,15H2,(H2,25,26,27,29)
InChIKeyKTTCFNDVSSAFPF-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.73
Rot. Bonds5

About [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate

[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate (PubChem CID 9309799) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate
PubChem CID9309799
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC Name[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate
SMILESN#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C23H17N3O4/c24-14-16-8-4-5-11-18(16)19-12-6-7-13-20(19)22(28)30-15-21(27)26-23(29)25-17-9-2-1-3-10-17/h1-13H,15H2,(H2,25,26,27,29)
InChIKeyKTTCFNDVSSAFPF-UHFFFAOYSA-N
XLogP3.73
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8701813
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 7521413
2-oxopropyl 2-(2-cyanophenyl)benzoate
CID 7520288
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8702055
[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate
CID 8539985
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8540007
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 7522846
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 7522779
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8539979
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 27704595
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 7522833
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 7522572

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate?
The IUPAC name of [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate (CID 9309799) is [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate.
What is the SMILES notation for [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate?
The canonical SMILES for [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate is N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate?
The InChIKey is KTTCFNDVSSAFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c24-14-16-8-4-5-11-18(16)19-12-6-7-13-20(19)22(28)30-15-21(27)26-23(29)25-17-9-2-1-3-10-17/h1-13H,15H2,(H2,25,26,27,29).
What are the key properties of [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate?
[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate has a molecular weight of 399.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate is sourced from PubChem (CID 9309799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).