N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide

C17H18ClNO3 — CID 113102585

IUPACN-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCOc2ccc(Cl)cc2C)c1
InChIInChI=1S/C17H18ClNO3/c1-12-10-14(18)6-7-16(12)22-9-8-19-17(20)13-4-3-5-15(11-13)21-2/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeySWGMXJIZXFZQHP-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide

N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide (PubChem CID 113102585) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide
PubChem CID113102585
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCOc2ccc(Cl)cc2C)c1
InChIInChI=1S/C17H18ClNO3/c1-12-10-14(18)6-7-16(12)22-9-8-19-17(20)13-4-3-5-15(11-13)21-2/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeySWGMXJIZXFZQHP-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
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-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide
CID 113102587
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113103051
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113100732
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
3-methoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174692
3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
CID 13387095
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 112976506
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide
CID 40718388

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide (CID 113102585) is N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCOc2ccc(Cl)cc2C)c1.
What is the InChIKey of N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide?
The InChIKey is SWGMXJIZXFZQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12-10-14(18)6-7-16(12)22-9-8-19-17(20)13-4-3-5-15(11-13)21-2/h3-7,10-11H,8-9H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide?
N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide has a molecular weight of 319.79 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 113102585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).