2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide

C13H17ClFNO3 — CID 51074979

IUPAC2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO3/c1-18-8-6-16(7-9-19-2)13(17)12-10(14)4-3-5-11(12)15/h3-5H,6-9H2,1-2H3
InChIKeyAEOMJFLHHVNUPH-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.21
Rot. Bonds7

About 2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide

2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide (PubChem CID 51074979) has the molecular formula C13H17ClFNO3 and a molecular weight of 289.73 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
PubChem CID51074979
Molecular FormulaC13H17ClFNO3
Molecular Weight289.73 g/mol
Exact Mass289.09
IUPAC Name2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO3/c1-18-8-6-16(7-9-19-2)13(17)12-10(14)4-3-5-11(12)15/h3-5H,6-9H2,1-2H3
InChIKeyAEOMJFLHHVNUPH-UHFFFAOYSA-N
XLogP2.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide (CID 51074979) is 2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide is COCCN(CCOC)C(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide?
The InChIKey is AEOMJFLHHVNUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3/c1-18-8-6-16(7-9-19-2)13(17)12-10(14)4-3-5-11(12)15/h3-5H,6-9H2,1-2H3.
What are the key properties of 2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide?
2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide has a molecular weight of 289.73 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide is sourced from PubChem (CID 51074979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).