N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide

C12H15ClFNO3 — CID 113468216

IUPACN-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCCl)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H15ClFNO3/c1-18-7-6-15(5-4-13)12(17)10-8-9(14)2-3-11(10)16/h2-3,8,16H,4-7H2,1H3
InChIKeyGNCXDEAFVWESBW-UHFFFAOYSA-N
MW275.71 g/mol
LogP1.86
Rot. Bonds6

About N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide

N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide (PubChem CID 113468216) has the molecular formula C12H15ClFNO3 and a molecular weight of 275.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide
PubChem CID113468216
Molecular FormulaC12H15ClFNO3
Molecular Weight275.71 g/mol
Exact Mass275.07
IUPAC NameN-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCCl)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H15ClFNO3/c1-18-7-6-15(5-4-13)12(17)10-8-9(14)2-3-11(10)16/h2-3,8,16H,4-7H2,1H3
InChIKeyGNCXDEAFVWESBW-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-3,4-dihydroxy-N-(2-methoxyethyl)benzamide
CID 107729074
methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78958878
2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 103892150
N-(3-amino-3-sulfanylidenepropyl)-2,5-difluoro-N-(2-methoxyethyl)benzamide
CID 63287621
2-hydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylbenzamide
CID 61073232
4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
CID 107994173
methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115745885
5-chloro-N-(2-chloroethyl)-2-iodo-N-(2-methoxyethyl)benzamide
CID 114029716
3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide
CID 113468238
N-(3-amino-3-sulfanylidenepropyl)-2,4-difluoro-N-(2-methoxyethyl)benzamide
CID 63287156
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 113281479

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide (CID 113468216) is N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide is COCCN(CCCl)C(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide?
The InChIKey is GNCXDEAFVWESBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3/c1-18-7-6-15(5-4-13)12(17)10-8-9(14)2-3-11(10)16/h2-3,8,16H,4-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide?
N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide has a molecular weight of 275.71 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 113468216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).