2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide

C16H16FNO3 — CID 30756648

IUPAC2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
SMILESCOc1ccc(C(=O)NCCOc2ccccc2)c(F)c1
InChIInChI=1S/C16H16FNO3/c1-20-13-7-8-14(15(17)11-13)16(19)18-9-10-21-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyITDDUCOFNCUUJZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.64
Rot. Bonds6

About 2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide

2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide (PubChem CID 30756648) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
PubChem CID30756648
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
SMILESCOc1ccc(C(=O)NCCOc2ccccc2)c(F)c1
InChIInChI=1S/C16H16FNO3/c1-20-13-7-8-14(15(17)11-13)16(19)18-9-10-21-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyITDDUCOFNCUUJZ-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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-(2-phenoxyethyl)benzamide
CID 26676947
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
CID 18168568
2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 86921725
2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
CID 18120226
N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide
CID 86922045
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide
CID 102885176
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide (CID 30756648) is 2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide is COc1ccc(C(=O)NCCOc2ccccc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide?
The InChIKey is ITDDUCOFNCUUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-20-13-7-8-14(15(17)11-13)16(19)18-9-10-21-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide?
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide has a molecular weight of 289.31 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 30756648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).