4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide

C22H26FNO3 — CID 171138751

IUPAC4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
SMILESO=C(CCCOc1ccccc1F)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H26FNO3/c23-19-9-4-5-10-20(19)27-14-6-11-21(25)24-17-22(12-15-26-16-13-22)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,25)
InChIKeyFSNCVBIUFTTZGO-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.85
Rot. Bonds8

About 4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide

4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide (PubChem CID 171138751) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
PubChem CID171138751
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
SMILESO=C(CCCOc1ccccc1F)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H26FNO3/c23-19-9-4-5-10-20(19)27-14-6-11-21(25)24-17-22(12-15-26-16-13-22)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,25)
InChIKeyFSNCVBIUFTTZGO-UHFFFAOYSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide
CID 55658381
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide
CID 52737970
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide
CID 47070990
2-[4-(2-fluorophenoxy)butanoylamino]acetic acid
CID 110466152
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55849523
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
N-[(4-phenyloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806730
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
CID 52717503
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide (CID 171138751) is 4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide is O=C(CCCOc1ccccc1F)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The InChIKey is FSNCVBIUFTTZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c23-19-9-4-5-10-20(19)27-14-6-11-21(25)24-17-22(12-15-26-16-13-22)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,25).
What are the key properties of 4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide has a molecular weight of 371.45 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide is sourced from PubChem (CID 171138751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).