2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide

C15H23FN2O2 — CID 43380763

IUPAC2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Nc1ccc(OC)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-4-5-6-9-17-15(19)11(2)18-12-7-8-14(20-3)13(16)10-12/h7-8,10-11,18H,4-6,9H2,1-3H3,(H,17,19)
InChIKeySQQNNJAZTVQTDF-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.94
Rot. Bonds8

About 2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide

2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide (PubChem CID 43380763) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
PubChem CID43380763
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Nc1ccc(OC)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-4-5-6-9-17-15(19)11(2)18-12-7-8-14(20-3)13(16)10-12/h7-8,10-11,18H,4-6,9H2,1-3H3,(H,17,19)
InChIKeySQQNNJAZTVQTDF-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoro-4-methoxyanilino)-N-propylpropanamide
CID 43380767
2-(3-bromo-4-methoxyanilino)-N-pentylpropanamide
CID 63996831
2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765
2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide
CID 134039373
3-fluoro-4-methoxy-N-undecan-6-ylaniline
CID 43775903
N-decyl-3-fluoro-4-methoxyaniline
CID 63489598
2-[(6-methoxy-3-pyridinyl)amino]-N-pentylpropanamide
CID 43114026
2-(naphthalen-2-ylamino)-N-pentylpropanamide
CID 43420250
2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
CID 65437335
2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide
CID 113399730
3-fluoro-N-heptan-3-yl-4-methoxyaniline
CID 63944319

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide?
The IUPAC name of 2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide (CID 43380763) is 2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide is CCCCCNC(=O)C(C)Nc1ccc(OC)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide?
The InChIKey is SQQNNJAZTVQTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-5-6-9-17-15(19)11(2)18-12-7-8-14(20-3)13(16)10-12/h7-8,10-11,18H,4-6,9H2,1-3H3,(H,17,19).
What are the key properties of 2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide?
2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide has a molecular weight of 282.36 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide is sourced from PubChem (CID 43380763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).