N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide

C14H18BrNO3 — CID 107706124

IUPACN-(2-bromocycloheptyl)-3,5-dihydroxybenzamide
SMILESO=C(NC1CCCCCC1Br)c1cc(O)cc(O)c1
InChIInChI=1S/C14H18BrNO3/c15-12-4-2-1-3-5-13(12)16-14(19)9-6-10(17)8-11(18)7-9/h6-8,12-13,17-18H,1-5H2,(H,16,19)
InChIKeyNJPCTDUEIQMOEJ-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.92
Rot. Bonds2

About N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide

N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide (PubChem CID 107706124) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-bromocycloheptyl)-3,5-dihydroxybenzamide
PubChem CID107706124
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC NameN-(2-bromocycloheptyl)-3,5-dihydroxybenzamide
SMILESO=C(NC1CCCCCC1Br)c1cc(O)cc(O)c1
InChIInChI=1S/C14H18BrNO3/c15-12-4-2-1-3-5-13(12)16-14(19)9-6-10(17)8-11(18)7-9/h6-8,12-13,17-18H,1-5H2,(H,16,19)
InChIKeyNJPCTDUEIQMOEJ-UHFFFAOYSA-N
XLogP2.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromocyclohexyl)-3-hydroxybenzamide
CID 114311869
3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 104939046
N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide
CID 80661734
3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide
CID 113395139
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-(2-bromocyclohexyl)-3-fluorobenzamide
CID 114311839
N-(2-bromocycloheptyl)-4-cyanobenzamide
CID 113395146
N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide
CID 114312028
N-(2-bromocyclohexyl)-4-cyanobenzamide
CID 114311872
N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
CID 113275063
N-(2-bromocycloheptyl)-2,5-dichlorothiophene-3-carboxamide
CID 107966231
6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide
CID 115354131

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide (CID 107706124) is N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide is O=C(NC1CCCCCC1Br)c1cc(O)cc(O)c1.
What is the InChIKey of N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide?
The InChIKey is NJPCTDUEIQMOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c15-12-4-2-1-3-5-13(12)16-14(19)9-6-10(17)8-11(18)7-9/h6-8,12-13,17-18H,1-5H2,(H,16,19).
What are the key properties of N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide?
N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide has a molecular weight of 328.21 g/mol, XLogP of 2.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocycloheptyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 107706124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).