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

C15H20ClNO3 — CID 107725996

IUPACN-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
SMILESO=C(NCC1CCCCC1CCl)c1cc(O)ccc1O
InChIInChI=1S/C15H20ClNO3/c16-8-10-3-1-2-4-11(10)9-17-15(20)13-7-12(18)5-6-14(13)19/h5-7,10-11,18-19H,1-4,8-9H2,(H,17,20)
InChIKeyOHDMEYSJZPEZRY-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.87
Rot. Bonds4

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

N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide (PubChem CID 107725996) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
PubChem CID107725996
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
SMILESO=C(NCC1CCCCC1CCl)c1cc(O)ccc1O
InChIInChI=1S/C15H20ClNO3/c16-8-10-3-1-2-4-11(10)9-17-15(20)13-7-12(18)5-6-14(13)19/h5-7,10-11,18-19H,1-4,8-9H2,(H,17,20)
InChIKeyOHDMEYSJZPEZRY-UHFFFAOYSA-N
XLogP2.87
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.87
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-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 114179613
N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide
CID 107726047
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide
CID 114307019
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114306984
5-bromo-2-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 107729903
N-[(1,1-dioxothiolan-2-yl)methyl]-2,5-dihydroxybenzamide
CID 107723405
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 64911532
2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107724816
2-chloro-5-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418935
N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 114306751
2,5-dichloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-3-carboxamide
CID 107966085
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
CID 114306706

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide?
The IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide (CID 107725996) is N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide is O=C(NCC1CCCCC1CCl)c1cc(O)ccc1O.
What is the InChIKey of N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide?
The InChIKey is OHDMEYSJZPEZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c16-8-10-3-1-2-4-11(10)9-17-15(20)13-7-12(18)5-6-14(13)19/h5-7,10-11,18-19H,1-4,8-9H2,(H,17,20).
What are the key properties of N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide?
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide has a molecular weight of 297.78 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide is sourced from PubChem (CID 107725996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).