[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate

C17H15FN2O5 — CID 7771265

IUPAC[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
SMILESCc1ccc(O)c(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H15FN2O5/c1-10-6-7-14(21)11(8-10)16(23)25-9-15(22)20-17(24)19-13-5-3-2-4-12(13)18/h2-8,21H,9H2,1H3,(H2,19,20,22,24)
InChIKeyPGHLOCMFPXHAKS-UHFFFAOYSA-N
MW346.31 g/mol
LogP2.34
Rot. Bonds4

About [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate (PubChem CID 7771265) has the molecular formula C17H15FN2O5 and a molecular weight of 346.31 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
PubChem CID7771265
Molecular FormulaC17H15FN2O5
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
SMILESCc1ccc(O)c(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H15FN2O5/c1-10-6-7-14(21)11(8-10)16(23)25-9-15(22)20-17(24)19-13-5-3-2-4-12(13)18/h2-8,21H,9H2,1H3,(H2,19,20,22,24)
InChIKeyPGHLOCMFPXHAKS-UHFFFAOYSA-N
XLogP2.34
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate
CID 7971704
[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611829
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771432
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771224
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927399
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 2630367
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 27213210
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 7826073
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771951
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7720946
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771385
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate
CID 2509396

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
The IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate (CID 7771265) is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate.
What is the SMILES notation for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
The canonical SMILES for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate is Cc1ccc(O)c(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)c1.
What is the InChIKey of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
The InChIKey is PGHLOCMFPXHAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O5/c1-10-6-7-14(21)11(8-10)16(23)25-9-15(22)20-17(24)19-13-5-3-2-4-12(13)18/h2-8,21H,9H2,1H3,(H2,19,20,22,24).
What are the key properties of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate has a molecular weight of 346.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate is sourced from PubChem (CID 7771265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).