2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide

C14H20FNO3 — CID 54915998

IUPAC2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(CCOC)C(=O)c1ccccc1F
InChIInChI=1S/C14H20FNO3/c1-18-10-5-8-16(9-11-19-2)14(17)12-6-3-4-7-13(12)15/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeyHGYUFHPYZBGHBB-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.95
Rot. Bonds8

About 2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide

2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide (PubChem CID 54915998) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
PubChem CID54915998
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(CCOC)C(=O)c1ccccc1F
InChIInChI=1S/C14H20FNO3/c1-18-10-5-8-16(9-11-19-2)14(17)12-6-3-4-7-13(12)15/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeyHGYUFHPYZBGHBB-UHFFFAOYSA-N
XLogP1.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 55173242
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61074145
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 113255190
3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 63188742
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
N-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide
CID 11961102
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluoro-N-(3-methoxypropyl)benzamide
CID 4302806
N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dimethylbenzamide
CID 55173243
2-fluoro-N-(3-methoxypropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061645
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-fluoro-N-(3-methoxypropyl)benzamide
CID 4033820

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide (CID 54915998) is 2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide is COCCCN(CCOC)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The InChIKey is HGYUFHPYZBGHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-18-10-5-8-16(9-11-19-2)14(17)12-6-3-4-7-13(12)15/h3-4,6-7H,5,8-11H2,1-2H3.
What are the key properties of 2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide has a molecular weight of 269.32 g/mol, XLogP of 1.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54915998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).