N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide

C17H19ClN2O2 — CID 840860

IUPACN-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide
SMILESO=C(NN=C1C2CC3CC(C2)CC1C3)c1cc(Cl)ccc1O
InChIInChI=1S/C17H19ClN2O2/c18-13-1-2-15(21)14(8-13)17(22)20-19-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,21H,3-7H2,(H,20,22)/b19-16-
InChIKeyYWKGZAQUPKTFJL-MNDPQUGUSA-N
MW318.80 g/mol
LogP3.59
Rot. Bonds2

About N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide

N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide (PubChem CID 840860) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide
PubChem CID840860
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide
SMILESO=C(NN=C1C2CC3CC(C2)CC1C3)c1cc(Cl)ccc1O
InChIInChI=1S/C17H19ClN2O2/c18-13-1-2-15(21)14(8-13)17(22)20-19-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,21H,3-7H2,(H,20,22)/b19-16-
InChIKeyYWKGZAQUPKTFJL-MNDPQUGUSA-N
XLogP3.59
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide
CID 869893
5-chloro-2-hydroxy-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4626462
N-(2-adamantylideneamino)-2-bromobenzamide
CID 4167138
N-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide
CID 17337826
5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide
CID 115696810
4-chloro-N-(cycloheptylideneamino)-2-hydroxybenzamide
CID 780477
N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-5-chloro-2-hydroxybenzamide
CID 11880265
5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975
N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
CID 3441069
5-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62379160
5-chloro-2-hydroxy-N-sulfanylbenzamide
CID 130240285
5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
CID 9297791

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide (CID 840860) is N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide is O=C(NN=C1C2CC3CC(C2)CC1C3)c1cc(Cl)ccc1O.
What is the InChIKey of N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide?
The InChIKey is YWKGZAQUPKTFJL-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-13-1-2-15(21)14(8-13)17(22)20-19-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,21H,3-7H2,(H,20,22)/b19-16-.
What are the key properties of N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide?
N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide has a molecular weight of 318.80 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 840860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).