2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide

C16H16FNO3 — CID 17340482

IUPAC2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
SMILESCOCCOc1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H16FNO3/c1-20-10-11-21-13-8-6-12(7-9-13)18-16(19)14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyHUMWYDBHCBINKR-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.10
Rot. Bonds6

About 2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide

2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide (PubChem CID 17340482) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
PubChem CID17340482
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
SMILESCOCCOc1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H16FNO3/c1-20-10-11-21-13-8-6-12(7-9-13)18-16(19)14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyHUMWYDBHCBINKR-UHFFFAOYSA-N
XLogP3.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.10
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-(2-methoxyethoxy)phenyl]benzamide
CID 17178097
2-fluoro-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 4958343
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
2-fluoro-N-[4-[3-(4-methoxyphenyl)-2-oxopropyl]phenyl]benzamide
CID 58422785
2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-[4-[[3-chloro-4-(2-methoxyethoxy)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide
CID 10299114
N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821605
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide
CID 17130584

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide (CID 17340482) is 2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide is COCCOc1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide?
The InChIKey is HUMWYDBHCBINKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-20-10-11-21-13-8-6-12(7-9-13)18-16(19)14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide?
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide has a molecular weight of 289.31 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 17340482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).