4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide

C16H21BrClNO2 — CID 55849532

IUPAC4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide
SMILESCC1CCCCC1OCCNC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H21BrClNO2/c1-11-4-2-3-5-15(11)21-9-8-19-16(20)13-7-6-12(17)10-14(13)18/h6-7,10-11,15H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyGYISNZHKQHGZBY-UHFFFAOYSA-N
MW374.71 g/mol
LogP4.43
Rot. Bonds5

About 4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide

4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide (PubChem CID 55849532) has the molecular formula C16H21BrClNO2 and a molecular weight of 374.71 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide
PubChem CID55849532
Molecular FormulaC16H21BrClNO2
Molecular Weight374.71 g/mol
Exact Mass373.04
IUPAC Name4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide
SMILESCC1CCCCC1OCCNC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H21BrClNO2/c1-11-4-2-3-5-15(11)21-9-8-19-16(20)13-7-6-12(17)10-14(13)18/h6-7,10-11,15H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyGYISNZHKQHGZBY-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 54.43
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

5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide
CID 51115806
4-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114794001
4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994336
4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119782
4-bromo-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-1H-pyrazole-5-carboxamide
CID 95619711
N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 42961801
6-(furan-2-yl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95977413
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide
CID 95593788
6-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyridine-2-carboxamide
CID 51948701
3-bromo-1-methyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]indole-2-carboxamide
CID 52538277
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
CID 107999547
1-(3-chlorophenyl)-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-3-carboxamide
CID 55924641

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide (CID 55849532) is 4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide is CC1CCCCC1OCCNC(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide?
The InChIKey is GYISNZHKQHGZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClNO2/c1-11-4-2-3-5-15(11)21-9-8-19-16(20)13-7-6-12(17)10-14(13)18/h6-7,10-11,15H,2-5,8-9H2,1H3,(H,19,20).
What are the key properties of 4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide?
4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide has a molecular weight of 374.71 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide is sourced from PubChem (CID 55849532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).