3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide

C15H19BrClNO2 — CID 114301502

IUPAC3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCCC2Cl)cc1Br
InChIInChI=1S/C15H19BrClNO2/c1-20-14-7-6-10(8-12(14)16)15(19)18-9-11-4-2-3-5-13(11)17/h6-8,11,13H,2-5,9H2,1H3,(H,18,19)
InChIKeyIONMURULOZYCAY-UHFFFAOYSA-N
MW360.68 g/mol
LogP3.99
Rot. Bonds4

About 3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide

3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide (PubChem CID 114301502) has the molecular formula C15H19BrClNO2 and a molecular weight of 360.68 g/mol. Its IUPAC name is 3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide
PubChem CID114301502
Molecular FormulaC15H19BrClNO2
Molecular Weight360.68 g/mol
Exact Mass359.03
IUPAC Name3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCCC2Cl)cc1Br
InChIInChI=1S/C15H19BrClNO2/c1-20-14-7-6-10(8-12(14)16)15(19)18-9-11-4-2-3-5-13(11)17/h6-8,11,13H,2-5,9H2,1H3,(H,18,19)
InChIKeyIONMURULOZYCAY-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 53.99
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

3-bromo-4-methoxy-N-(thian-2-ylmethyl)benzamide
CID 80600014
3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
CID 103280557
6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 115354542
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114317315
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide
CID 113272650
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
CID 107729007
3-bromo-N-[2-(cyclopropylamino)ethyl]-4-methoxybenzamide
CID 62662939
N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
CID 113272929
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114317199
3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
CID 114301647

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide (CID 114301502) is 3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2CCCCC2Cl)cc1Br.
What is the InChIKey of 3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide?
The InChIKey is IONMURULOZYCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO2/c1-20-14-7-6-10(8-12(14)16)15(19)18-9-11-4-2-3-5-13(11)17/h6-8,11,13H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide?
3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide has a molecular weight of 360.68 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 114301502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).