[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate

C17H15FN2O5 — CID 91642897

IUPAC[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate
SMILESCOc1ccc(F)cc1C(=O)Oc1cccc(C(=O)NCC(N)=O)c1
InChIInChI=1S/C17H15FN2O5/c1-24-14-6-5-11(18)8-13(14)17(23)25-12-4-2-3-10(7-12)16(22)20-9-15(19)21/h2-8H,9H2,1H3,(H2,19,21)(H,20,22)
InChIKeySDDJYQDKICAELD-UHFFFAOYSA-N
MW346.31 g/mol
LogP1.27
Rot. Bonds6

About [3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate

[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate (PubChem CID 91642897) has the molecular formula C17H15FN2O5 and a molecular weight of 346.31 g/mol. Its IUPAC name is [3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate.

Molecular Properties

Compound Name[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate
PubChem CID91642897
Molecular FormulaC17H15FN2O5
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate
SMILESCOc1ccc(F)cc1C(=O)Oc1cccc(C(=O)NCC(N)=O)c1
InChIInChI=1S/C17H15FN2O5/c1-24-14-6-5-11(18)8-13(14)17(23)25-12-4-2-3-10(7-12)16(22)20-9-15(19)21/h2-8H,9H2,1H3,(H2,19,21)(H,20,22)
InChIKeySDDJYQDKICAELD-UHFFFAOYSA-N
XLogP1.27
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7899297
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8521806
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
[3-(2-methylpropoxycarbonyl)phenyl] 5-bromo-2-methoxybenzoate
CID 17171240
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
propyl 5-fluoro-2-methoxybenzoate
CID 78846828
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884609
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882572
N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide
CID 167964840
N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide
CID 9295314
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 110601130
N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110780162

Frequently Asked Questions

What is the IUPAC name of [3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate?
The IUPAC name of [3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate (CID 91642897) is [3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate.
What is the SMILES notation for [3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate?
The canonical SMILES for [3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate is COc1ccc(F)cc1C(=O)Oc1cccc(C(=O)NCC(N)=O)c1.
What is the InChIKey of [3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate?
The InChIKey is SDDJYQDKICAELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O5/c1-24-14-6-5-11(18)8-13(14)17(23)25-12-4-2-3-10(7-12)16(22)20-9-15(19)21/h2-8H,9H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of [3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate?
[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate has a molecular weight of 346.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate is sourced from PubChem (CID 91642897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).