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

C22H20ClNO3 — CID 4954394

IUPACN-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C22H20ClNO3/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)
InChIKeyPGAJXCZYVLOSGC-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.36
Rot. Bonds7

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

N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide (PubChem CID 4954394) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
PubChem CID4954394
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C22H20ClNO3/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)
InChIKeyPGAJXCZYVLOSGC-UHFFFAOYSA-N
XLogP5.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.36
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-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4856842
N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954259
N-(5-chloro-2-methylphenyl)-2-phenylmethoxybenzamide
CID 4946400
N-(5-chloro-2-methylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826790
2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130832
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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide (CID 4954394) is N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide is Cc1ccc(Cl)cc1NC(=O)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide?
The InChIKey is PGAJXCZYVLOSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3/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-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide?
N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide has a molecular weight of 381.86 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 4954394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).