2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide

C17H17ClFNO3 — CID 134028048

IUPAC2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H17ClFNO3/c1-20(17(21)15-8-3-12(19)11-16(15)18)9-10-23-14-6-4-13(22-2)5-7-14/h3-8,11H,9-10H2,1-2H3
InChIKeyMYDDAOPIEIRGMW-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.64
Rot. Bonds6

About 2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide

2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide (PubChem CID 134028048) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
PubChem CID134028048
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H17ClFNO3/c1-20(17(21)15-8-3-12(19)11-16(15)18)9-10-23-14-6-4-13(22-2)5-7-14/h3-8,11H,9-10H2,1-2H3
InChIKeyMYDDAOPIEIRGMW-UHFFFAOYSA-N
XLogP3.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 106441252
N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 62686238
4-amino-5-chloro-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide;hydrochloride
CID 119689180
4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
CID 61114074
2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide
CID 31284888
2,4-dimethoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 18098220
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide
CID 112793987
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618208
3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 66482556
2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 103891558
N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 112792660
2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 86978699

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide (CID 134028048) is 2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide is COc1ccc(OCCN(C)C(=O)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide?
The InChIKey is MYDDAOPIEIRGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-20(17(21)15-8-3-12(19)11-16(15)18)9-10-23-14-6-4-13(22-2)5-7-14/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide?
2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide has a molecular weight of 337.78 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 134028048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).