4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide

C19H21FN2O4 — CID 55950031

IUPAC4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide
SMILESCOCCOc1cc(C)ccc1NC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4/c1-13-3-8-16(17(11-13)26-10-9-25-2)22-18(23)12-21-19(24)14-4-6-15(20)7-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVYFHOZXMDLPFKO-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.53
Rot. Bonds8

About 4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide

4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide (PubChem CID 55950031) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide
PubChem CID55950031
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide
SMILESCOCCOc1cc(C)ccc1NC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4/c1-13-3-8-16(17(11-13)26-10-9-25-2)22-18(23)12-21-19(24)14-4-6-15(20)7-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVYFHOZXMDLPFKO-UHFFFAOYSA-N
XLogP2.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55950792
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 55891215
2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119726882
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 60934173
1-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 47063298
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 4999273
methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938
4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide
CID 55891092

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide (CID 55950031) is 4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide is COCCOc1cc(C)ccc1NC(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide?
The InChIKey is VYFHOZXMDLPFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-13-3-8-16(17(11-13)26-10-9-25-2)22-18(23)12-21-19(24)14-4-6-15(20)7-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide has a molecular weight of 360.39 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55950031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).