N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide

C16H24BrNO3 — CID 106288438

IUPACN-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H24BrNO3/c1-5-11(6-2)13(17)10-18-16(19)12-7-8-14(20-3)15(9-12)21-4/h7-9,11,13H,5-6,10H2,1-4H3,(H,18,19)
InChIKeyFVSBMYWNLCPDMV-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.63
Rot. Bonds8

About N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide

N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide (PubChem CID 106288438) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide
PubChem CID106288438
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC NameN-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H24BrNO3/c1-5-11(6-2)13(17)10-18-16(19)12-7-8-14(20-3)15(9-12)21-4/h7-9,11,13H,5-6,10H2,1-4H3,(H,18,19)
InChIKeyFVSBMYWNLCPDMV-UHFFFAOYSA-N
XLogP3.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide
CID 106288554
4-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168864
N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide
CID 106288101
4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide
CID 106288005
N-(2-amino-3-ethylpentyl)-3-hydroxy-4-methoxybenzamide
CID 106285822
N-[(2R)-2-(ethylamino)propyl]-3,4-dimethoxybenzamide;hydrochloride
CID 120655264
3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
CID 106288362
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide
CID 106288527
N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide
CID 106288562
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide (CID 106288438) is N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide is CCC(CC)C(Br)CNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide?
The InChIKey is FVSBMYWNLCPDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-5-11(6-2)13(17)10-18-16(19)12-7-8-14(20-3)15(9-12)21-4/h7-9,11,13H,5-6,10H2,1-4H3,(H,18,19).
What are the key properties of N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide?
N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide has a molecular weight of 358.28 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 106288438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).