N-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide

C13H16ClNO2 — CID 5274423

IUPACN-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c14-11-6-8-12(9-7-11)15(17)13(16)10-4-2-1-3-5-10/h6-10,17H,1-5H2
InChIKeyFXAFVMIOYIOHOW-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.64
Rot. Bonds2

About N-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide

N-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide (PubChem CID 5274423) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide
PubChem CID5274423
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC NameN-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c14-11-6-8-12(9-7-11)15(17)13(16)10-4-2-1-3-5-10/h6-10,17H,1-5H2
InChIKeyFXAFVMIOYIOHOW-UHFFFAOYSA-N
XLogP3.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-chlorophenyl)-N-hydroxycyclohexanecarboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide (CID 5274423) is N-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide is O=C(C1CCCCC1)N(O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide?
The InChIKey is FXAFVMIOYIOHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-11-6-8-12(9-7-11)15(17)13(16)10-4-2-1-3-5-10/h6-10,17H,1-5H2.
What are the key properties of N-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide?
N-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide has a molecular weight of 253.73 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide is sourced from PubChem (CID 5274423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).