N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide

C17H18ClNO3 — CID 17355384

IUPACN-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C17H18ClNO3/c1-12-7-8-13(11-15(12)18)19-17(20)14-5-3-4-6-16(14)22-10-9-21-2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyKCIMJSNFXBGJOQ-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.93
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide

N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide (PubChem CID 17355384) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
PubChem CID17355384
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C17H18ClNO3/c1-12-7-8-13(11-15(12)18)19-17(20)14-5-3-4-6-16(14)22-10-9-21-2/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyKCIMJSNFXBGJOQ-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.93
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-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17357254
N-(3,4-dimethylphenyl)-2-[[2-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17355422
N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 17045551
2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide
CID 60567354
N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628178
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
2-chloro-4-[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 60532900
N-(3-chloro-4-methylphenyl)-2-[2-(4-nitrophenyl)-2-oxoethoxy]benzamide
CID 1328732
N-(4-carbamoylphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943115
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide (CID 17355384) is N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide is COCCOc1ccccc1C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide?
The InChIKey is KCIMJSNFXBGJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12-7-8-13(11-15(12)18)19-17(20)14-5-3-4-6-16(14)22-10-9-21-2/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide?
N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide has a molecular weight of 319.79 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17355384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).