N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide

C14H18ClNO3 — CID 114179613

IUPACN-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide
SMILESO=C(NC1CCCCC1CCl)c1cc(O)ccc1O
InChIInChI=1S/C14H18ClNO3/c15-8-9-3-1-2-4-12(9)16-14(19)11-7-10(17)5-6-13(11)18/h5-7,9,12,17-18H,1-4,8H2,(H,16,19)
InChIKeyCTJUGMZSWXKOGH-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.63
Rot. Bonds3

About N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide

N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide (PubChem CID 114179613) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide
PubChem CID114179613
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide
SMILESO=C(NC1CCCCC1CCl)c1cc(O)ccc1O
InChIInChI=1S/C14H18ClNO3/c15-8-9-3-1-2-4-12(9)16-14(19)11-7-10(17)5-6-13(11)18/h5-7,9,12,17-18H,1-4,8H2,(H,16,19)
InChIKeyCTJUGMZSWXKOGH-UHFFFAOYSA-N
XLogP2.63
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 107725193
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107725996
N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide
CID 106366865
2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106367028
N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide
CID 106366835
4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide
CID 114179592
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide
CID 106366292
2,5-dihydroxy-N-(2-methoxycyclopentyl)benzamide
CID 107722870
2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide
CID 106366697
2-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 103822598
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
CID 106365784

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide (CID 114179613) is N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide is O=C(NC1CCCCC1CCl)c1cc(O)ccc1O.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide?
The InChIKey is CTJUGMZSWXKOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-8-9-3-1-2-4-12(9)16-14(19)11-7-10(17)5-6-13(11)18/h5-7,9,12,17-18H,1-4,8H2,(H,16,19).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide?
N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide has a molecular weight of 283.75 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide is sourced from PubChem (CID 114179613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).