N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide

C18H20ClNO5 — CID 2295339

IUPACN-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCOc2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20ClNO5/c1-22-15-10-12(11-16(23-2)17(15)24-3)18(21)20-8-9-25-14-6-4-13(19)5-7-14/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyVUVDBRLHYVDBOX-UHFFFAOYSA-N
MW365.81 g/mol
LogP3.17
Rot. Bonds8

About N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide

N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 2295339) has the molecular formula C18H20ClNO5 and a molecular weight of 365.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
PubChem CID2295339
Molecular FormulaC18H20ClNO5
Molecular Weight365.81 g/mol
Exact Mass365.10
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCOc2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20ClNO5/c1-22-15-10-12(11-16(23-2)17(15)24-3)18(21)20-8-9-25-14-6-4-13(19)5-7-14/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyVUVDBRLHYVDBOX-UHFFFAOYSA-N
XLogP3.17
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100338
N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 46489928
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
CID 31336337
3,4,5-trimethoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
CID 113101112
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
N-[4-(4-chlorophenoxy)butyl]-3,4,5-triethoxybenzamide
CID 16571870
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 113099864
3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55662530

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide (CID 2295339) is N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCOc2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is VUVDBRLHYVDBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5/c1-22-15-10-12(11-16(23-2)17(15)24-3)18(21)20-8-9-25-14-6-4-13(19)5-7-14/h4-7,10-11H,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide?
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 365.81 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2295339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).