N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide

C22H20FNO3 — CID 4856842

IUPACN-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C22H20FNO3/c1-16-11-12-17(23)15-20(16)24-22(25)19-9-5-6-10-21(19)27-14-13-26-18-7-3-2-4-8-18/h2-12,15H,13-14H2,1H3,(H,24,25)
InChIKeyTZAHXTRVNPTTOV-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.84
Rot. Bonds7

About N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide

N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide (PubChem CID 4856842) has the molecular formula C22H20FNO3 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
PubChem CID4856842
Molecular FormulaC22H20FNO3
Molecular Weight365.40 g/mol
Exact Mass365.14
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C22H20FNO3/c1-16-11-12-17(23)15-20(16)24-22(25)19-9-5-6-10-21(19)27-14-13-26-18-7-3-2-4-8-18/h2-12,15H,13-14H2,1H3,(H,24,25)
InChIKeyTZAHXTRVNPTTOV-UHFFFAOYSA-N
XLogP4.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.84
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

N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954394
N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 54784469
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
N-methyl-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17354042
N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
N-(2,5-dimethylphenyl)-2-(2-phenylethoxy)benzamide
CID 19628089
2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4954440
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954259
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
2-(2-phenoxyethoxy)-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098022
3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
CID 16789136

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide (CID 4856842) is N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide is Cc1ccc(F)cc1NC(=O)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide?
The InChIKey is TZAHXTRVNPTTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3/c1-16-11-12-17(23)15-20(16)24-22(25)19-9-5-6-10-21(19)27-14-13-26-18-7-3-2-4-8-18/h2-12,15H,13-14H2,1H3,(H,24,25).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide?
N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide has a molecular weight of 365.40 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 4856842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).