N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide

C15H21BrClNO2 — CID 106255094

IUPACN-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide
SMILESCCC(CC)(CBr)CNC(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C15H21BrClNO2/c1-4-15(5-2,9-16)10-18-14(19)12-7-6-11(17)8-13(12)20-3/h6-8H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyHZUGKAGUBZVUOX-UHFFFAOYSA-N
MW362.70 g/mol
LogP4.28
Rot. Bonds7

About N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide

N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide (PubChem CID 106255094) has the molecular formula C15H21BrClNO2 and a molecular weight of 362.70 g/mol. Its IUPAC name is N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide
PubChem CID106255094
Molecular FormulaC15H21BrClNO2
Molecular Weight362.70 g/mol
Exact Mass361.04
IUPAC NameN-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide
SMILESCCC(CC)(CBr)CNC(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C15H21BrClNO2/c1-4-15(5-2,9-16)10-18-14(19)12-7-6-11(17)8-13(12)20-3/h6-8H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyHZUGKAGUBZVUOX-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 54.28
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-amino-2-ethylbutyl)-4-chloro-2-methoxybenzamide
CID 81484738
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-chloro-2-methoxybenzamide
CID 107867840
4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide
CID 111335197
N-[2-(bromomethyl)-2-ethylbutyl]-2-chlorobenzamide
CID 106254725
N-[2-(bromomethyl)-2-ethylbutyl]-2,4-difluorobenzamide
CID 106255574
N-[2-(bromomethyl)-2-ethylbutyl]-3-chlorobenzamide
CID 106254903
N-[2-(bromomethyl)-2-ethylbutyl]-3-methoxy-4-methylbenzamide
CID 106255437
N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049
4-chloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxybenzamide
CID 107867430
4-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxybenzamide
CID 62522464
4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide
CID 52834676
4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide
CID 106253885

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide?
The IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide (CID 106255094) is N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide?
The canonical SMILES for N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide is CCC(CC)(CBr)CNC(=O)c1ccc(Cl)cc1OC.
What is the InChIKey of N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide?
The InChIKey is HZUGKAGUBZVUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO2/c1-4-15(5-2,9-16)10-18-14(19)12-7-6-11(17)8-13(12)20-3/h6-8H,4-5,9-10H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide?
N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide has a molecular weight of 362.70 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-2-methoxybenzamide is sourced from PubChem (CID 106255094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).