N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide

C16H23FN2O2 — CID 107687315

IUPACN-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1ccc(OCCC(=O)NC2CC2)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-2-8-18-11-12-3-6-15(14(17)10-12)21-9-7-16(20)19-13-4-5-13/h3,6,10,13,18H,2,4-5,7-9,11H2,1H3,(H,19,20)
InChIKeyAQBXFHSFSHOPJY-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.37
Rot. Bonds9

About N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide

N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide (PubChem CID 107687315) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide
PubChem CID107687315
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1ccc(OCCC(=O)NC2CC2)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-2-8-18-11-12-3-6-15(14(17)10-12)21-9-7-16(20)19-13-4-5-13/h3,6,10,13,18H,2,4-5,7-9,11H2,1H3,(H,19,20)
InChIKeyAQBXFHSFSHOPJY-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanamide
CID 62626635
4-[3-(cyclopropylamino)-3-oxopropoxy]-3-fluorobenzoic acid
CID 107690083
3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 107689352
3-[2-chloro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide
CID 62324371
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107687356
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide
CID 107685855
N-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687173
3-[2-chloro-4-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626638
N-(cyanomethyl)-2-[2-fluoro-4-(propylaminomethyl)phenoxy]acetamide
CID 107687312
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107687402
4-[(4-ethoxy-3-fluorophenyl)methylamino]butanoic acid
CID 115218613

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide?
The IUPAC name of N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide (CID 107687315) is N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide?
The canonical SMILES for N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide is CCCNCc1ccc(OCCC(=O)NC2CC2)c(F)c1.
What is the InChIKey of N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide?
The InChIKey is AQBXFHSFSHOPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-8-18-11-12-3-6-15(14(17)10-12)21-9-7-16(20)19-13-4-5-13/h3,6,10,13,18H,2,4-5,7-9,11H2,1H3,(H,19,20).
What are the key properties of N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide?
N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide has a molecular weight of 294.37 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide is sourced from PubChem (CID 107687315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).