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

C18H20ClNO2 — CID 112792740

IUPACN-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H20ClNO2/c1-13-4-5-15(12-14(13)2)18(21)20(3)10-11-22-17-8-6-16(19)7-9-17/h4-9,12H,10-11H2,1-3H3
InChIKeyRDNBAWVUJXCZIZ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.11
Rot. Bonds5

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

N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide (PubChem CID 112792740) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
PubChem CID112792740
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H20ClNO2/c1-13-4-5-15(12-14(13)2)18(21)20(3)10-11-22-17-8-6-16(19)7-9-17/h4-9,12H,10-11H2,1-3H3
InChIKeyRDNBAWVUJXCZIZ-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide
CID 60589214
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 31289866
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 178089820
N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691977
N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71934907
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-nitrobenzamide
CID 27795603
N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 27795629
N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide
CID 112792732
N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31470074
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide (CID 112792740) is N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide?
The InChIKey is RDNBAWVUJXCZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13-4-5-15(12-14(13)2)18(21)20(3)10-11-22-17-8-6-16(19)7-9-17/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide?
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide has a molecular weight of 317.82 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide is sourced from PubChem (CID 112792740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).