N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide

C14H18ClNO3 — CID 106133738

IUPACN-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
SMILESO=C(NCC1CCC(Cl)CC1)c1cccc(O)c1O
InChIInChI=1S/C14H18ClNO3/c15-10-6-4-9(5-7-10)8-16-14(19)11-2-1-3-12(17)13(11)18/h1-3,9-10,17-18H,4-8H2,(H,16,19)
InChIKeyFSDKBSIGTGOCIH-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.63
Rot. Bonds3

About N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide

N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide (PubChem CID 106133738) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
PubChem CID106133738
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
SMILESO=C(NCC1CCC(Cl)CC1)c1cccc(O)c1O
InChIInChI=1S/C14H18ClNO3/c15-10-6-4-9(5-7-10)8-16-14(19)11-2-1-3-12(17)13(11)18/h1-3,9-10,17-18H,4-8H2,(H,16,19)
InChIKeyFSDKBSIGTGOCIH-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide
CID 114344475
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide
CID 107303203
N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide
CID 114148036
N-[(4-chlorocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 106133730
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide
CID 106124188
3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119090
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641
N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106134004

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide (CID 106133738) is N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide is O=C(NCC1CCC(Cl)CC1)c1cccc(O)c1O.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide?
The InChIKey is FSDKBSIGTGOCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-10-6-4-9(5-7-10)8-16-14(19)11-2-1-3-12(17)13(11)18/h1-3,9-10,17-18H,4-8H2,(H,16,19).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide?
N-[(4-chlorocyclohexyl)methyl]-2,3-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-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide is sourced from PubChem (CID 106133738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).