4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide

C15H19Cl2NO2 — CID 114307019

IUPAC4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide
SMILESO=C(NCC1CCCCC1CCl)c1ccc(Cl)cc1O
InChIInChI=1S/C15H19Cl2NO2/c16-8-10-3-1-2-4-11(10)9-18-15(20)13-6-5-12(17)7-14(13)19/h5-7,10-11,19H,1-4,8-9H2,(H,18,20)
InChIKeyRGDVHUOELAZSRH-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.82
Rot. Bonds4

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

4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide (PubChem CID 114307019) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide
PubChem CID114307019
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide
SMILESO=C(NCC1CCCCC1CCl)c1ccc(Cl)cc1O
InChIInChI=1S/C15H19Cl2NO2/c16-8-10-3-1-2-4-11(10)9-18-15(20)13-6-5-12(17)7-14(13)19/h5-7,10-11,19H,1-4,8-9H2,(H,18,20)
InChIKeyRGDVHUOELAZSRH-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.82
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

4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114306984
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107725996
4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
CID 62328293
2,5-dichloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-3-carboxamide
CID 107966085
4-chloro-N-(2-cyclopentyloxyethyl)-2-hydroxybenzamide
CID 55151514
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide
CID 113273831
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
CID 113276186
2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 114027684
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide
CID 82818931
N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
CID 106366538
N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114301418
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 114317332

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide (CID 114307019) is 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide is O=C(NCC1CCCCC1CCl)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide?
The InChIKey is RGDVHUOELAZSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c16-8-10-3-1-2-4-11(10)9-18-15(20)13-6-5-12(17)7-14(13)19/h5-7,10-11,19H,1-4,8-9H2,(H,18,20).
What are the key properties of 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide?
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide has a molecular weight of 316.23 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide is sourced from PubChem (CID 114307019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).