3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

C18H21FN2O3 — CID 109031072

IUPAC3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCNc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O3/c1-23-16-5-7-17(8-6-16)24-12-11-21-18(22)9-10-20-15-4-2-3-14(19)13-15/h2-8,13,20H,9-12H2,1H3,(H,21,22)
InChIKeyYRZVLNYOHLFOKQ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.83
Rot. Bonds9

About 3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (PubChem CID 109031072) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
PubChem CID109031072
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCNc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O3/c1-23-16-5-7-17(8-6-16)24-12-11-21-18(22)9-10-20-15-4-2-3-14(19)13-15/h2-8,13,20H,9-12H2,1H3,(H,21,22)
InChIKeyYRZVLNYOHLFOKQ-UHFFFAOYSA-N
XLogP2.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.83
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

3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
CID 82096015
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637
3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031057
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540495
N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
CID 109025014
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005391
3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031043
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935418
3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031081

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (CID 109031072) is 3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is COc1ccc(OCCNC(=O)CCNc2cccc(F)c2)cc1.
What is the InChIKey of 3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The InChIKey is YRZVLNYOHLFOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-23-16-5-7-17(8-6-16)24-12-11-21-18(22)9-10-20-15-4-2-3-14(19)13-15/h2-8,13,20H,9-12H2,1H3,(H,21,22).
What are the key properties of 3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide has a molecular weight of 332.38 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 109031072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).