N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide

C15H21BrFNO2 — CID 106288554

IUPACN-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H21BrFNO2/c1-4-10(5-2)12(16)9-18-15(19)11-6-7-14(20-3)13(17)8-11/h6-8,10,12H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyOLHNPWOJSZCSOZ-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.76
Rot. Bonds7

About N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide

N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide (PubChem CID 106288554) has the molecular formula C15H21BrFNO2 and a molecular weight of 346.24 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide
PubChem CID106288554
Molecular FormulaC15H21BrFNO2
Molecular Weight346.24 g/mol
Exact Mass345.07
IUPAC NameN-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H21BrFNO2/c1-4-10(5-2)12(16)9-18-15(19)11-6-7-14(20-3)13(17)8-11/h6-8,10,12H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyOLHNPWOJSZCSOZ-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide
CID 106288438
3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
CID 106288362
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135
N-(3-chloro-2-methylpropyl)-3-fluoro-4-methoxybenzamide
CID 114302762
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
4-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168864
N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide
CID 106288101
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide
CID 106288005
N-(2-amino-3-ethylpentyl)-3-hydroxy-4-methoxybenzamide
CID 106285822
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide (CID 106288554) is N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide is CCC(CC)C(Br)CNC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide?
The InChIKey is OLHNPWOJSZCSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO2/c1-4-10(5-2)12(16)9-18-15(19)11-6-7-14(20-3)13(17)8-11/h6-8,10,12H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide?
N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide has a molecular weight of 346.24 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 106288554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).