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

C22H20ClNO3 — CID 166369452

IUPAC2-chloro-5-(2-methylphenyl)-N-(2-phenoxyethoxy)benzamide
SMILESCc1ccccc1-c1ccc(Cl)c(C(=O)NOCCOc2ccccc2)c1
InChIInChI=1S/C22H20ClNO3/c1-16-7-5-6-10-19(16)17-11-12-21(23)20(15-17)22(25)24-27-14-13-26-18-8-3-2-4-9-18/h2-12,15H,13-14H2,1H3,(H,24,25)
InChIKeyMEQDLBGQJWFNND-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.06
Rot. Bonds7

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

2-chloro-5-(2-methylphenyl)-N-(2-phenoxyethoxy)benzamide (PubChem CID 166369452) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-chloro-5-(2-methylphenyl)-N-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound Name2-chloro-5-(2-methylphenyl)-N-(2-phenoxyethoxy)benzamide
PubChem CID166369452
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Name2-chloro-5-(2-methylphenyl)-N-(2-phenoxyethoxy)benzamide
SMILESCc1ccccc1-c1ccc(Cl)c(C(=O)NOCCOc2ccccc2)c1
InChIInChI=1S/C22H20ClNO3/c1-16-7-5-6-10-19(16)17-11-12-21(23)20(15-17)22(25)24-27-14-13-26-18-8-3-2-4-9-18/h2-12,15H,13-14H2,1H3,(H,24,25)
InChIKeyMEQDLBGQJWFNND-UHFFFAOYSA-N
XLogP5.06
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 ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methylphenyl)-N-(2-phenoxyethoxy)benzamide?
The IUPAC name of 2-chloro-5-(2-methylphenyl)-N-(2-phenoxyethoxy)benzamide (CID 166369452) is 2-chloro-5-(2-methylphenyl)-N-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for 2-chloro-5-(2-methylphenyl)-N-(2-phenoxyethoxy)benzamide?
The canonical SMILES for 2-chloro-5-(2-methylphenyl)-N-(2-phenoxyethoxy)benzamide is Cc1ccccc1-c1ccc(Cl)c(C(=O)NOCCOc2ccccc2)c1.
What is the InChIKey of 2-chloro-5-(2-methylphenyl)-N-(2-phenoxyethoxy)benzamide?
The InChIKey is MEQDLBGQJWFNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-16-7-5-6-10-19(16)17-11-12-21(23)20(15-17)22(25)24-27-14-13-26-18-8-3-2-4-9-18/h2-12,15H,13-14H2,1H3,(H,24,25).
What are the key properties of 2-chloro-5-(2-methylphenyl)-N-(2-phenoxyethoxy)benzamide?
2-chloro-5-(2-methylphenyl)-N-(2-phenoxyethoxy)benzamide has a molecular weight of 381.86 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methylphenyl)-N-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 166369452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).