4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide

C14H16BrClF3NO — CID 107333565

IUPAC4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide
SMILESCCC(CCCl)CNC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H16BrClF3NO/c1-2-9(5-6-16)8-20-13(21)11-4-3-10(15)7-12(11)14(17,18)19/h3-4,7,9H,2,5-6,8H2,1H3,(H,20,21)
InChIKeyKQJJAMXQKAMJEA-UHFFFAOYSA-N
MW386.64 g/mol
LogP4.85
Rot. Bonds6

About 4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide

4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide (PubChem CID 107333565) has the molecular formula C14H16BrClF3NO and a molecular weight of 386.64 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide
PubChem CID107333565
Molecular FormulaC14H16BrClF3NO
Molecular Weight386.64 g/mol
Exact Mass385.01
IUPAC Name4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide
SMILESCCC(CCCl)CNC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H16BrClF3NO/c1-2-9(5-6-16)8-20-13(21)11-4-3-10(15)7-12(11)14(17,18)19/h3-4,7,9H,2,5-6,8H2,1H3,(H,20,21)
InChIKeyKQJJAMXQKAMJEA-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.64
LogP ≤ 54.85
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

4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide
CID 114145710
N-(3-aminobutyl)-4-bromo-2-(trifluoromethyl)benzamide
CID 107333127
6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 115354549
4-bromo-N-(2-hydroxy-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 103925349
4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 107333120
2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 113273748
N-(4-chloro-2-ethylbutyl)-2,3-dihydroxybenzamide
CID 114345290
2-bromo-N-(4-chloro-2-ethylbutyl)-3-methylbenzamide
CID 107983971
2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide
CID 114306423
4-bromo-N-(2-iodoethyl)-2-(trifluoromethyl)benzamide
CID 107333591
4-bromo-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)benzamide
CID 103925344
4-bromo-N-(2-methylsulfanylethyl)-2-(trifluoromethyl)benzamide
CID 113352612

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide (CID 107333565) is 4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide is CCC(CCCl)CNC(=O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide?
The InChIKey is KQJJAMXQKAMJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClF3NO/c1-2-9(5-6-16)8-20-13(21)11-4-3-10(15)7-12(11)14(17,18)19/h3-4,7,9H,2,5-6,8H2,1H3,(H,20,21).
What are the key properties of 4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide?
4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide has a molecular weight of 386.64 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 107333565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).