N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide

C18H20ClNO3 — CID 113103051

IUPACN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCOc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C18H20ClNO3/c1-12-9-16(10-13(2)17(12)19)23-8-7-20-18(21)14-5-4-6-15(11-14)22-3/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)
InChIKeyFPGAAIWMSZMFQY-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide

N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide (PubChem CID 113103051) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide
PubChem CID113103051
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCOc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C18H20ClNO3/c1-12-9-16(10-13(2)17(12)19)23-8-7-20-18(21)14-5-4-6-15(11-14)22-3/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)
InChIKeyFPGAAIWMSZMFQY-UHFFFAOYSA-N
XLogP3.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.77
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-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113100732
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide
CID 113102585
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 16978147
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[5-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990817
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160030
3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide
CID 113102716
3-methoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174692

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide (CID 113103051) is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCOc2cc(C)c(Cl)c(C)c2)c1.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide?
The InChIKey is FPGAAIWMSZMFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12-9-16(10-13(2)17(12)19)23-8-7-20-18(21)14-5-4-6-15(11-14)22-3/h4-6,9-11H,7-8H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide?
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide has a molecular weight of 333.82 g/mol, XLogP of 3.77, 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-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 113103051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).