3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide

C12H14BrClFNO2 — CID 113468238

IUPAC3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCCl)C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H14BrClFNO2/c1-18-5-4-16(3-2-14)12(17)9-6-10(13)8-11(15)7-9/h6-8H,2-5H2,1H3
InChIKeyNRWUUUWGHKHVQJ-UHFFFAOYSA-N
MW338.60 g/mol
LogP2.92
Rot. Bonds6

About 3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide

3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide (PubChem CID 113468238) has the molecular formula C12H14BrClFNO2 and a molecular weight of 338.60 g/mol. Its IUPAC name is 3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide
PubChem CID113468238
Molecular FormulaC12H14BrClFNO2
Molecular Weight338.60 g/mol
Exact Mass336.99
IUPAC Name3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCCl)C(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H14BrClFNO2/c1-18-5-4-16(3-2-14)12(17)9-6-10(13)8-11(15)7-9/h6-8H,2-5H2,1H3
InChIKeyNRWUUUWGHKHVQJ-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.60
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
CID 107994173
3-bromo-N-(2-chloroethyl)-5-fluoro-N-pentan-3-ylbenzamide
CID 55188004
N-(2-chloroethyl)-3,4-dihydroxy-N-(2-methoxyethyl)benzamide
CID 107729074
N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide
CID 113468216
N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387256
methyl 3-[(3-amino-5-bromobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532935
3-bromo-N-ethyl-5-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 78883881
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide
CID 106754271
3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 63188742
3-bromo-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65386871
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
CID 63392950

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide (CID 113468238) is 3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide is COCCN(CCCl)C(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide?
The InChIKey is NRWUUUWGHKHVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFNO2/c1-18-5-4-16(3-2-14)12(17)9-6-10(13)8-11(15)7-9/h6-8H,2-5H2,1H3.
What are the key properties of 3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide?
3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide has a molecular weight of 338.60 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 113468238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).