N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide

C18H21FN2O4 — CID 109037688

IUPACN-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NCCC(=O)Nc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C18H21FN2O4/c1-23-15-10-14(11-16(24-2)18(15)25-3)20-9-8-17(22)21-13-6-4-12(19)5-7-13/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyNIAWQIYRKWUZEU-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.29
Rot. Bonds8

About N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide

N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide (PubChem CID 109037688) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
PubChem CID109037688
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC NameN-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NCCC(=O)Nc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C18H21FN2O4/c1-23-15-10-14(11-16(24-2)18(15)25-3)20-9-8-17(22)21-13-6-4-12(19)5-7-13/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyNIAWQIYRKWUZEU-UHFFFAOYSA-N
XLogP3.29
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.29
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-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042527
N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
CID 24536642
3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109040860
3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109039839
N-(3-cyanophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042534
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109031433
N-(2-tert-butylphenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037292
N-(2,5-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042529
3-(3,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037696
N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide
CID 109037732
3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113126987

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide (CID 109037688) is N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide is COc1cc(NCCC(=O)Nc2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide?
The InChIKey is NIAWQIYRKWUZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-23-15-10-14(11-16(24-2)18(15)25-3)20-9-8-17(22)21-13-6-4-12(19)5-7-13/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22).
What are the key properties of N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide?
N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide has a molecular weight of 348.37 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide is sourced from PubChem (CID 109037688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).