2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide

C12H14Cl2FNO — CID 114306163

IUPAC2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide
SMILESCC(CCCl)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C12H14Cl2FNO/c1-8(5-6-13)7-16-12(17)11-9(14)3-2-4-10(11)15/h2-4,8H,5-7H2,1H3,(H,16,17)
InChIKeyCTZLDHSTRCPSFD-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.47
Rot. Bonds5

About 2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide

2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide (PubChem CID 114306163) has the molecular formula C12H14Cl2FNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide
PubChem CID114306163
Molecular FormulaC12H14Cl2FNO
Molecular Weight278.15 g/mol
Exact Mass277.04
IUPAC Name2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide
SMILESCC(CCCl)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C12H14Cl2FNO/c1-8(5-6-13)7-16-12(17)11-9(14)3-2-4-10(11)15/h2-4,8H,5-7H2,1H3,(H,16,17)
InChIKeyCTZLDHSTRCPSFD-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide
CID 107016840
2-chloro-N-(4-chloro-2-methylbutyl)benzamide
CID 114306157
N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide
CID 114316754
4-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538290
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide
CID 119527099
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107187
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
2-chloro-6-fluoro-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 52771363
N-(4-chloro-2-methylbutyl)-2,5-difluorobenzamide
CID 114306301
2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide
CID 97086616
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide (CID 114306163) is 2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide is CC(CCCl)CNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide?
The InChIKey is CTZLDHSTRCPSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FNO/c1-8(5-6-13)7-16-12(17)11-9(14)3-2-4-10(11)15/h2-4,8H,5-7H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide?
2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide has a molecular weight of 278.15 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide is sourced from PubChem (CID 114306163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).