N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide

C15H20BrNO3 — CID 102872287

IUPACN-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)N(CCCBr)C2CCC2)c1
InChIInChI=1S/C15H20BrNO3/c1-20-12-6-7-14(18)13(10-12)15(19)17(9-3-8-16)11-4-2-5-11/h6-7,10-11,18H,2-5,8-9H2,1H3
InChIKeyOMALEMDRMNMEBP-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.18
Rot. Bonds6

About N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide

N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide (PubChem CID 102872287) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide
PubChem CID102872287
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)N(CCCBr)C2CCC2)c1
InChIInChI=1S/C15H20BrNO3/c1-20-12-6-7-14(18)13(10-12)15(19)17(9-3-8-16)11-4-2-5-11/h6-7,10-11,18H,2-5,8-9H2,1H3
InChIKeyOMALEMDRMNMEBP-UHFFFAOYSA-N
XLogP3.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.18
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-bromoethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 80666154
N-(2-chloroethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 63394206
N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide
CID 107732739
N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide
CID 115281180
2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 102858713
N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide
CID 102866390
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
CID 80652711
N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide
CID 80665946
2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide
CID 63391871
N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 80662499
N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
CID 103891986
N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
CID 80659305

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide (CID 102872287) is N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)N(CCCBr)C2CCC2)c1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide?
The InChIKey is OMALEMDRMNMEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-20-12-6-7-14(18)13(10-12)15(19)17(9-3-8-16)11-4-2-5-11/h6-7,10-11,18H,2-5,8-9H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide?
N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide has a molecular weight of 342.23 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 102872287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).