(2-amino-4-chlorophenyl)-cyclohexylmethanone

C13H16ClNO — CID 64915975

IUPAC(2-amino-4-chlorophenyl)-cyclohexylmethanone
SMILESNc1cc(Cl)ccc1C(=O)C1CCCCC1
InChIInChI=1S/C13H16ClNO/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h6-9H,1-5,15H2
InChIKeyHLQBHZZSCWYAMU-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.69
Rot. Bonds2

About (2-amino-4-chlorophenyl)-cyclohexylmethanone

(2-amino-4-chlorophenyl)-cyclohexylmethanone (PubChem CID 64915975) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-cyclohexylmethanone.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-cyclohexylmethanone
PubChem CID64915975
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(2-amino-4-chlorophenyl)-cyclohexylmethanone
SMILESNc1cc(Cl)ccc1C(=O)C1CCCCC1
InChIInChI=1S/C13H16ClNO/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h6-9H,1-5,15H2
InChIKeyHLQBHZZSCWYAMU-UHFFFAOYSA-N
XLogP3.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-cyclohexylmethanone?
The IUPAC name of (2-amino-4-chlorophenyl)-cyclohexylmethanone (CID 64915975) is (2-amino-4-chlorophenyl)-cyclohexylmethanone.
What is the SMILES notation for (2-amino-4-chlorophenyl)-cyclohexylmethanone?
The canonical SMILES for (2-amino-4-chlorophenyl)-cyclohexylmethanone is Nc1cc(Cl)ccc1C(=O)C1CCCCC1.
What is the InChIKey of (2-amino-4-chlorophenyl)-cyclohexylmethanone?
The InChIKey is HLQBHZZSCWYAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h6-9H,1-5,15H2.
What are the key properties of (2-amino-4-chlorophenyl)-cyclohexylmethanone?
(2-amino-4-chlorophenyl)-cyclohexylmethanone has a molecular weight of 237.73 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl)-cyclohexylmethanone is sourced from PubChem (CID 64915975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).