2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide

C14H18BrClFNO — CID 106287681

IUPAC2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide
SMILESCCC(CC)C(Cl)CNC(=O)c1cccc(F)c1Br
InChIInChI=1S/C14H18BrClFNO/c1-3-9(4-2)11(16)8-18-14(19)10-6-5-7-12(17)13(10)15/h5-7,9,11H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyLULYMECNDVUVDG-UHFFFAOYSA-N
MW350.66 g/mol
LogP4.36
Rot. Bonds6

About 2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide

2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide (PubChem CID 106287681) has the molecular formula C14H18BrClFNO and a molecular weight of 350.66 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide
PubChem CID106287681
Molecular FormulaC14H18BrClFNO
Molecular Weight350.66 g/mol
Exact Mass349.02
IUPAC Name2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide
SMILESCCC(CC)C(Cl)CNC(=O)c1cccc(F)c1Br
InChIInChI=1S/C14H18BrClFNO/c1-3-9(4-2)11(16)8-18-14(19)10-6-5-7-12(17)13(10)15/h5-7,9,11H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyLULYMECNDVUVDG-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.66
LogP ≤ 54.36
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-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide
CID 106287250
2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide
CID 114145812
4-[(2-bromo-3-fluorobenzoyl)amino]-2-fluoro-3-methylbutanoic acid
CID 166279725
5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide
CID 106287321
2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 115360486
2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide
CID 113410640
3-bromo-N-(2-chlorobutyl)-2-fluorobenzamide
CID 107956821
4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide
CID 106287678
2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide
CID 115364185
N-(2-chloropropyl)-3-fluoro-2-methylbenzamide
CID 131197905
N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide
CID 114168739
N-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide
CID 106287581

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide (CID 106287681) is 2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide is CCC(CC)C(Cl)CNC(=O)c1cccc(F)c1Br.
What is the InChIKey of 2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide?
The InChIKey is LULYMECNDVUVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClFNO/c1-3-9(4-2)11(16)8-18-14(19)10-6-5-7-12(17)13(10)15/h5-7,9,11H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide?
2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide has a molecular weight of 350.66 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide is sourced from PubChem (CID 106287681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).