N-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide

C17H23ClN2O2 — CID 17338162

IUPACN-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide
SMILESCC(C)(C)C1CCC(=NNC(=O)c2ccc(Cl)cc2O)CC1
InChIInChI=1S/C17H23ClN2O2/c1-17(2,3)11-4-7-13(8-5-11)19-20-16(22)14-9-6-12(18)10-15(14)21/h6,9-11,21H,4-5,7-8H2,1-3H3,(H,20,22)/b19-13-
InChIKeyYDTIHPWQTZOZPO-UYRXBGFRSA-N
MW322.84 g/mol
LogP4.37
Rot. Bonds2

About N-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide

N-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide (PubChem CID 17338162) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide
PubChem CID17338162
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide
SMILESCC(C)(C)C1CCC(=NNC(=O)c2ccc(Cl)cc2O)CC1
InChIInChI=1S/C17H23ClN2O2/c1-17(2,3)11-4-7-13(8-5-11)19-20-16(22)14-9-6-12(18)10-15(14)21/h6,9-11,21H,4-5,7-8H2,1-3H3,(H,20,22)/b19-13-
InChIKeyYDTIHPWQTZOZPO-UYRXBGFRSA-N
XLogP4.37
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 54.37
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide?
The IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide (CID 17338162) is N-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide is CC(C)(C)C1CCC(=NNC(=O)c2ccc(Cl)cc2O)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide?
The InChIKey is YDTIHPWQTZOZPO-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-17(2,3)11-4-7-13(8-5-11)19-20-16(22)14-9-6-12(18)10-15(14)21/h6,9-11,21H,4-5,7-8H2,1-3H3,(H,20,22)/b19-13-.
What are the key properties of N-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide?
N-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide has a molecular weight of 322.84 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexylidene)amino]-4-chloro-2-hydroxybenzamide is sourced from PubChem (CID 17338162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).