N-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide

C18H19F2NO2 — CID 11961102

IUPACN-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide
SMILESCCN(CCCOc1ccc(F)cc1)C(=O)c1ccccc1F
InChIInChI=1S/C18H19F2NO2/c1-2-21(18(22)16-6-3-4-7-17(16)20)12-5-13-23-15-10-8-14(19)9-11-15/h3-4,6-11H,2,5,12-13H2,1H3
InChIKeyLDZOXXJPGVZNLK-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.90
Rot. Bonds7

About N-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide

N-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide (PubChem CID 11961102) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide
PubChem CID11961102
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC NameN-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide
SMILESCCN(CCCOc1ccc(F)cc1)C(=O)c1ccccc1F
InChIInChI=1S/C18H19F2NO2/c1-2-21(18(22)16-6-3-4-7-17(16)20)12-5-13-23-15-10-8-14(19)9-11-15/h3-4,6-11H,2,5,12-13H2,1H3
InChIKeyLDZOXXJPGVZNLK-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54915998
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 55173242
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801
2-fluoro-N-[2-[(4S)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 93170719
1,1-diethyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088233
2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone
CID 2086964
1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol
CID 78963624
N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine
CID 171832104
N,N-diethyl-2-(phenoxymethyl)benzamide
CID 78777252
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444990

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide?
The IUPAC name of N-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide (CID 11961102) is N-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide is CCN(CCCOc1ccc(F)cc1)C(=O)c1ccccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide?
The InChIKey is LDZOXXJPGVZNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-2-21(18(22)16-6-3-4-7-17(16)20)12-5-13-23-15-10-8-14(19)9-11-15/h3-4,6-11H,2,5,12-13H2,1H3.
What are the key properties of N-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide?
N-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide has a molecular weight of 319.35 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide is sourced from PubChem (CID 11961102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).