3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide

C12H15ClFNO3 — CID 115902215

IUPAC3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCO)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFNO3/c1-18-8-6-15(5-7-16)12(17)9-3-2-4-10(13)11(9)14/h2-4,16H,5-8H2,1H3
InChIKeyOLEIRJJDHKVFJD-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.56
Rot. Bonds6

About 3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide

3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide (PubChem CID 115902215) has the molecular formula C12H15ClFNO3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
PubChem CID115902215
Molecular FormulaC12H15ClFNO3
Molecular Weight275.71 g/mol
Exact Mass275.07
IUPAC Name3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCO)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFNO3/c1-18-8-6-15(5-7-16)12(17)9-3-2-4-10(13)11(9)14/h2-4,16H,5-8H2,1H3
InChIKeyOLEIRJJDHKVFJD-UHFFFAOYSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3-chloro-2-fluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 80999485
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113339830
2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
CID 51074979
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772513
6-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 115772722
N-butyl-3-chloro-N-(2-chloroethyl)-2-fluorobenzamide
CID 81262386
2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 115902345
3,4-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772784
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
3-[(3-chloro-2-fluorobenzoyl)-ethylamino]propanoic acid
CID 81267764

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide (CID 115902215) is 3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide is COCCN(CCO)C(=O)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide?
The InChIKey is OLEIRJJDHKVFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3/c1-18-8-6-15(5-7-16)12(17)9-3-2-4-10(13)11(9)14/h2-4,16H,5-8H2,1H3.
What are the key properties of 3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide?
3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide has a molecular weight of 275.71 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 115902215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).