N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide

C14H18BrNO3 — CID 114312002

IUPACN-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC2CCCCC2Br)c1
InChIInChI=1S/C14H18BrNO3/c1-19-9-6-7-13(17)10(8-9)14(18)16-12-5-3-2-4-11(12)15/h6-8,11-12,17H,2-5H2,1H3,(H,16,18)
InChIKeyNKMVRLUIJIXQOV-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.84
Rot. Bonds3

About N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide

N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide (PubChem CID 114312002) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide
PubChem CID114312002
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC NameN-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC2CCCCC2Br)c1
InChIInChI=1S/C14H18BrNO3/c1-19-9-6-7-13(17)10(8-9)14(18)16-12-5-3-2-4-11(12)15/h6-8,11-12,17H,2-5H2,1H3,(H,16,18)
InChIKeyNKMVRLUIJIXQOV-UHFFFAOYSA-N
XLogP2.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-methoxy-N-(2-methylcyclohexyl)benzamide
CID 54943452
N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883574
2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
CID 104956910
N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide
CID 80661734
2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115413375
N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide
CID 60975569
N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide
CID 107172227
2,5-dihydroxy-N-(2-methoxycyclopentyl)benzamide
CID 107722870
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 64911532
N-(dicyclopropylmethyl)-2-hydroxy-5-methoxybenzamide
CID 54943396
N-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-5-methoxybenzamide
CID 115279910

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide (CID 114312002) is N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NC2CCCCC2Br)c1.
What is the InChIKey of N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is NKMVRLUIJIXQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-19-9-6-7-13(17)10(8-9)14(18)16-12-5-3-2-4-11(12)15/h6-8,11-12,17H,2-5H2,1H3,(H,16,18).
What are the key properties of N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide?
N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 328.21 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 114312002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).