3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide

C15H19BrClNO2 — CID 107999547

IUPAC3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
SMILESO=C(NCCOC1CCCCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H19BrClNO2/c16-13-10-11(6-7-14(13)17)15(19)18-8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,18,19)
InChIKeyHNMDIUCNJZWNOT-UHFFFAOYSA-N
MW360.68 g/mol
LogP4.18
Rot. Bonds5

About 3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide

3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide (PubChem CID 107999547) has the molecular formula C15H19BrClNO2 and a molecular weight of 360.68 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
PubChem CID107999547
Molecular FormulaC15H19BrClNO2
Molecular Weight360.68 g/mol
Exact Mass359.03
IUPAC Name3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
SMILESO=C(NCCOC1CCCCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H19BrClNO2/c16-13-10-11(6-7-14(13)17)15(19)18-8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,18,19)
InChIKeyHNMDIUCNJZWNOT-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 61149535
2-bromo-N-(2-cyclohexyloxyethyl)pyridine-4-carboxamide
CID 113255607
3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide
CID 103908078
2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide
CID 106501857
4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
CID 82833373
N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
CID 107030134
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
CID 107030113
3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 103995768
3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 107956118
N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884
3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 110610259

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide (CID 107999547) is 3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide is O=C(NCCOC1CCCCC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide?
The InChIKey is HNMDIUCNJZWNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO2/c16-13-10-11(6-7-14(13)17)15(19)18-8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,18,19).
What are the key properties of 3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide?
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide has a molecular weight of 360.68 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide is sourced from PubChem (CID 107999547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).