N-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide

C14H15BrF3NO2 — CID 102638299

IUPACN-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)c(F)c(O)c1F)C1CCCCC1Br
InChIInChI=1S/C14H15BrF3NO2/c1-19(10-5-3-2-4-8(10)15)14(21)7-6-9(16)12(18)13(20)11(7)17/h6,8,10,20H,2-5H2,1H3
InChIKeyVAVQEJKXOXECEM-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.59
Rot. Bonds2

About N-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide

N-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide (PubChem CID 102638299) has the molecular formula C14H15BrF3NO2 and a molecular weight of 366.18 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
PubChem CID102638299
Molecular FormulaC14H15BrF3NO2
Molecular Weight366.18 g/mol
Exact Mass365.02
IUPAC NameN-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)c(F)c(O)c1F)C1CCCCC1Br
InChIInChI=1S/C14H15BrF3NO2/c1-19(10-5-3-2-4-8(10)15)14(21)7-6-9(16)12(18)13(20)11(7)17/h6,8,10,20H,2-5H2,1H3
InChIKeyVAVQEJKXOXECEM-UHFFFAOYSA-N
XLogP3.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide
CID 102638460
N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide
CID 102638355
N-(2-bromocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
CID 102638374
N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 102638292
N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide
CID 102638491
N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide
CID 114103998
4-fluoro-2-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 103887475
N-(2-bromocyclohexyl)-N-methylacetamide
CID 102638316
2,4,5-trifluoro-3-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607911
5-amino-2-bromo-4-fluoro-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 62815082
N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 64928415
N-(2-bromocyclohexyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 114039940

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide?
The IUPAC name of N-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide (CID 102638299) is N-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide is CN(C(=O)c1cc(F)c(F)c(O)c1F)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide?
The InChIKey is VAVQEJKXOXECEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO2/c1-19(10-5-3-2-4-8(10)15)14(21)7-6-9(16)12(18)13(20)11(7)17/h6,8,10,20H,2-5H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide?
N-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide has a molecular weight of 366.18 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide is sourced from PubChem (CID 102638299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).