2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide

C11H10Cl3FN2O2 — CID 108575168

IUPAC2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
SMILESO=C(NCCNC(=O)C(Cl)Cl)c1c(F)cccc1Cl
InChIInChI=1S/C11H10Cl3FN2O2/c12-6-2-1-3-7(15)8(6)10(18)16-4-5-17-11(19)9(13)14/h1-3,9H,4-5H2,(H,16,18)(H,17,19)
InChIKeyUKICUTGXIQASHB-UHFFFAOYSA-N
MW327.57 g/mol
LogP2.13
Rot. Bonds5

About 2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide

2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide (PubChem CID 108575168) has the molecular formula C11H10Cl3FN2O2 and a molecular weight of 327.57 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
PubChem CID108575168
Molecular FormulaC11H10Cl3FN2O2
Molecular Weight327.57 g/mol
Exact Mass325.98
IUPAC Name2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
SMILESO=C(NCCNC(=O)C(Cl)Cl)c1c(F)cccc1Cl
InChIInChI=1S/C11H10Cl3FN2O2/c12-6-2-1-3-7(15)8(6)10(18)16-4-5-17-11(19)9(13)14/h1-3,9H,4-5H2,(H,16,18)(H,17,19)
InChIKeyUKICUTGXIQASHB-UHFFFAOYSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide
CID 108575170
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
4-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538290
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2-chloro-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-6-fluorobenzamide
CID 108540343
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
N-(5-bromopentyl)-2-chloro-6-fluorobenzamide
CID 107321928

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide (CID 108575168) is 2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide is O=C(NCCNC(=O)C(Cl)Cl)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide?
The InChIKey is UKICUTGXIQASHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3FN2O2/c12-6-2-1-3-7(15)8(6)10(18)16-4-5-17-11(19)9(13)14/h1-3,9H,4-5H2,(H,16,18)(H,17,19).
What are the key properties of 2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide?
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide has a molecular weight of 327.57 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide is sourced from PubChem (CID 108575168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).