N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide

C13H15BrClNO2 — CID 113274257

IUPACN-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide
SMILESO=C(NC1CCC(Br)CC1)c1ccc(Cl)cc1O
InChIInChI=1S/C13H15BrClNO2/c14-8-1-4-10(5-2-8)16-13(18)11-6-3-9(15)7-12(11)17/h3,6-8,10,17H,1-2,4-5H2,(H,16,18)
InChIKeyIUDMXMXHYVJEMW-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.48
Rot. Bonds2

About N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide

N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide (PubChem CID 113274257) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide
PubChem CID113274257
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC NameN-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide
SMILESO=C(NC1CCC(Br)CC1)c1ccc(Cl)cc1O
InChIInChI=1S/C13H15BrClNO2/c14-8-1-4-10(5-2-8)16-13(18)11-6-3-9(15)7-12(11)17/h3,6-8,10,17H,1-2,4-5H2,(H,16,18)
InChIKeyIUDMXMXHYVJEMW-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide
CID 112753008
4-chloro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 43345705
3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66031335
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide
CID 43176547
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide
CID 107725924
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide
CID 113272580
N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
CID 106366538
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide
CID 55038314

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide?
The IUPAC name of N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide (CID 113274257) is N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide?
The canonical SMILES for N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide is O=C(NC1CCC(Br)CC1)c1ccc(Cl)cc1O.
What is the InChIKey of N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide?
The InChIKey is IUDMXMXHYVJEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c14-8-1-4-10(5-2-8)16-13(18)11-6-3-9(15)7-12(11)17/h3,6-8,10,17H,1-2,4-5H2,(H,16,18).
What are the key properties of N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide?
N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide has a molecular weight of 332.63 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide is sourced from PubChem (CID 113274257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).