N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide

C14H17BrClNO2 — CID 112753008

IUPACN-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide
SMILESO=C(NC1CCC(CBr)CC1)c1ccc(Cl)cc1O
InChIInChI=1S/C14H17BrClNO2/c15-8-9-1-4-11(5-2-9)17-14(19)12-6-3-10(16)7-13(12)18/h3,6-7,9,11,18H,1-2,4-5,8H2,(H,17,19)
InChIKeyNSDYIGIPLFDAEK-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.73
Rot. Bonds3

About N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide

N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide (PubChem CID 112753008) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide
PubChem CID112753008
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC NameN-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide
SMILESO=C(NC1CCC(CBr)CC1)c1ccc(Cl)cc1O
InChIInChI=1S/C14H17BrClNO2/c15-8-9-1-4-11(5-2-9)17-14(19)12-6-3-10(16)7-13(12)18/h3,6-7,9,11,18H,1-2,4-5,8H2,(H,17,19)
InChIKeyNSDYIGIPLFDAEK-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.73
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-bromocyclohexyl)-4-chloro-2-hydroxybenzamide
CID 113274257
4-chloro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 43345705
3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66031335
N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
CID 106366538
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide
CID 55038314
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-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
CID 114307488
N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide
CID 107725924
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide?
The IUPAC name of N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide (CID 112753008) is N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide is O=C(NC1CCC(CBr)CC1)c1ccc(Cl)cc1O.
What is the InChIKey of N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide?
The InChIKey is NSDYIGIPLFDAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c15-8-9-1-4-11(5-2-9)17-14(19)12-6-3-10(16)7-13(12)18/h3,6-7,9,11,18H,1-2,4-5,8H2,(H,17,19).
What are the key properties of N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide?
N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide has a molecular weight of 346.65 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide is sourced from PubChem (CID 112753008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).