2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide

C18H26BrNO3 — CID 66896622

IUPAC2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide
SMILESCOCCCc1cc(CCCOC)c(Br)c(C(=O)NC2CC2)c1
InChIInChI=1S/C18H26BrNO3/c1-22-9-3-5-13-11-14(6-4-10-23-2)17(19)16(12-13)18(21)20-15-7-8-15/h11-12,15H,3-10H2,1-2H3,(H,20,21)
InChIKeyAGSNPEJIVULDOB-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.50
Rot. Bonds10

About 2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide

2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide (PubChem CID 66896622) has the molecular formula C18H26BrNO3 and a molecular weight of 384.31 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide
PubChem CID66896622
Molecular FormulaC18H26BrNO3
Molecular Weight384.31 g/mol
Exact Mass383.11
IUPAC Name2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide
SMILESCOCCCc1cc(CCCOC)c(Br)c(C(=O)NC2CC2)c1
InChIInChI=1S/C18H26BrNO3/c1-22-9-3-5-13-11-14(6-4-10-23-2)17(19)16(12-13)18(21)20-15-7-8-15/h11-12,15H,3-10H2,1-2H3,(H,20,21)
InChIKeyAGSNPEJIVULDOB-UHFFFAOYSA-N
XLogP3.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide
CID 70313971
2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide
CID 69152844
N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine
CID 66899598
N'-cyclopropyl-N-(3-methoxypropyl)propanediamide
CID 108940973
4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808715
5-bromo-N-cyclopropyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393053
2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide
CID 114296895
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
tert-butyl N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylphenyl]methyl]carbamate
CID 66896979
2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide
CID 43652918
2-bromo-N-(4-ethylcyclohexyl)-5-sulfanylbenzamide
CID 107025059
2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide
CID 170699654

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide (CID 66896622) is 2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide is COCCCc1cc(CCCOC)c(Br)c(C(=O)NC2CC2)c1.
What is the InChIKey of 2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide?
The InChIKey is AGSNPEJIVULDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO3/c1-22-9-3-5-13-11-14(6-4-10-23-2)17(19)16(12-13)18(21)20-15-7-8-15/h11-12,15H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide?
2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide has a molecular weight of 384.31 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide is sourced from PubChem (CID 66896622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).