2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide

C17H16FN3O5 — CID 9084762

IUPAC2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)NNC(=O)c2ccccc2F)ccc1OCC(N)=O
InChIInChI=1S/C17H16FN3O5/c1-25-14-8-10(6-7-13(14)26-9-15(19)22)16(23)20-21-17(24)11-4-2-3-5-12(11)18/h2-8H,9H2,1H3,(H2,19,22)(H,20,23)(H,21,24)
InChIKeyLLXAPVIBBBUBBR-UHFFFAOYSA-N
MW361.33 g/mol
LogP0.77
Rot. Bonds6

About 2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide

2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide (PubChem CID 9084762) has the molecular formula C17H16FN3O5 and a molecular weight of 361.33 g/mol. Its IUPAC name is 2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide
PubChem CID9084762
Molecular FormulaC17H16FN3O5
Molecular Weight361.33 g/mol
Exact Mass361.11
IUPAC Name2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)NNC(=O)c2ccccc2F)ccc1OCC(N)=O
InChIInChI=1S/C17H16FN3O5/c1-25-14-8-10(6-7-13(14)26-9-15(19)22)16(23)20-21-17(24)11-4-2-3-5-12(11)18/h2-8H,9H2,1H3,(H2,19,22)(H,20,23)(H,21,24)
InChIKeyLLXAPVIBBBUBBR-UHFFFAOYSA-N
XLogP0.77
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 55413100
N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-2-fluorobenzamide
CID 4950541
N'-(2,4-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 26893672
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 42910219
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-fluorobenzoate
CID 2511319
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 8872324
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
4-(2-amino-2-oxoethoxy)-N-(2,2-diphenylethyl)-3-methoxybenzamide
CID 55415145
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 8529507
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119505377
4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402051

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide (CID 9084762) is 2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide is COc1cc(C(=O)NNC(=O)c2ccccc2F)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide?
The InChIKey is LLXAPVIBBBUBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O5/c1-25-14-8-10(6-7-13(14)26-9-15(19)22)16(23)20-21-17(24)11-4-2-3-5-12(11)18/h2-8H,9H2,1H3,(H2,19,22)(H,20,23)(H,21,24).
What are the key properties of 2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide?
2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide has a molecular weight of 361.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 9084762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).