N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide

C17H19FN2O4 — CID 109008378

IUPACN-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C17H19FN2O4/c1-22-14-8-11(9-15(23-2)17(14)24-3)19-10-16(21)20-13-7-5-4-6-12(13)18/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyOQQJVPXMMZRUBK-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.90
Rot. Bonds7

About N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide

N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide (PubChem CID 109008378) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
PubChem CID109008378
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC NameN-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C17H19FN2O4/c1-22-14-8-11(9-15(23-2)17(14)24-3)19-10-16(21)20-13-7-5-4-6-12(13)18/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyOQQJVPXMMZRUBK-UHFFFAOYSA-N
XLogP2.90
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290
N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178406
N-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178370
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 7928579
N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362283
N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793058
methyl 2-chloro-5-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 37230186
N-(2-tert-butylphenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037292
N-(2-fluorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 41484310
N-(3,5-dimethoxyphenyl)-2-(2-fluoroanilino)acetamide
CID 26417450
4-[2-(2-fluoroanilino)-2-oxoethoxy]-3,5-dimethoxybenzoic acid
CID 99989728

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide (CID 109008378) is N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide is COc1cc(NCC(=O)Nc2ccccc2F)cc(OC)c1OC.
What is the InChIKey of N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The InChIKey is OQQJVPXMMZRUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-22-14-8-11(9-15(23-2)17(14)24-3)19-10-16(21)20-13-7-5-4-6-12(13)18/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide has a molecular weight of 334.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide is sourced from PubChem (CID 109008378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).