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

C18H20ClNO2 — CID 112792732

IUPACN-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CCOc2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H20ClNO2/c1-13-5-4-6-17(14(13)2)18(21)20(3)11-12-22-16-9-7-15(19)8-10-16/h4-10H,11-12H2,1-3H3
InChIKeyDETHYYGHIBJCJF-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.11
Rot. Bonds5

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

N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide (PubChem CID 112792732) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide
PubChem CID112792732
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CCOc2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H20ClNO2/c1-13-5-4-6-17(14(13)2)18(21)20(3)11-12-22-16-9-7-15(19)8-10-16/h4-10H,11-12H2,1-3H3
InChIKeyDETHYYGHIBJCJF-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

N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 112792660
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 66482556
N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 47067363
2-chloro-N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31190115
N-[3-(4-chlorophenoxy)propyl]-N-methyl-1,3-benzodioxole-4-carboxamide
CID 55898097
N-[2-(4-bromophenoxy)ethyl]-N,2-dimethyl-3-nitrobenzamide
CID 112794009
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31470074
5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide
CID 103803146
N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
CID 32760905
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide (CID 112792732) is N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide is Cc1cccc(C(=O)N(C)CCOc2ccc(Cl)cc2)c1C.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide?
The InChIKey is DETHYYGHIBJCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13-5-4-6-17(14(13)2)18(21)20(3)11-12-22-16-9-7-15(19)8-10-16/h4-10H,11-12H2,1-3H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide?
N-[2-(4-chlorophenoxy)ethyl]-N,2,3-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,2,3-trimethylbenzamide is sourced from PubChem (CID 112792732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).