(2-amino-4-chlorophenyl)-cyclopentylmethanone

C12H14ClNO — CID 64915200

IUPAC(2-amino-4-chlorophenyl)-cyclopentylmethanone
SMILESNc1cc(Cl)ccc1C(=O)C1CCCC1
InChIInChI=1S/C12H14ClNO/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h5-8H,1-4,14H2
InChIKeyHCOXXJFTVJXUNA-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.30
Rot. Bonds2

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

(2-amino-4-chlorophenyl)-cyclopentylmethanone (PubChem CID 64915200) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-cyclopentylmethanone.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-cyclopentylmethanone
PubChem CID64915200
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(2-amino-4-chlorophenyl)-cyclopentylmethanone
SMILESNc1cc(Cl)ccc1C(=O)C1CCCC1
InChIInChI=1S/C12H14ClNO/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h5-8H,1-4,14H2
InChIKeyHCOXXJFTVJXUNA-UHFFFAOYSA-N
XLogP3.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.30
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)-cyclopentylmethanone?
The IUPAC name of (2-amino-4-chlorophenyl)-cyclopentylmethanone (CID 64915200) is (2-amino-4-chlorophenyl)-cyclopentylmethanone.
What is the SMILES notation for (2-amino-4-chlorophenyl)-cyclopentylmethanone?
The canonical SMILES for (2-amino-4-chlorophenyl)-cyclopentylmethanone is Nc1cc(Cl)ccc1C(=O)C1CCCC1.
What is the InChIKey of (2-amino-4-chlorophenyl)-cyclopentylmethanone?
The InChIKey is HCOXXJFTVJXUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-9-5-6-10(11(14)7-9)12(15)8-3-1-2-4-8/h5-8H,1-4,14H2.
What are the key properties of (2-amino-4-chlorophenyl)-cyclopentylmethanone?
(2-amino-4-chlorophenyl)-cyclopentylmethanone has a molecular weight of 223.70 g/mol, XLogP of 3.30, 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)-cyclopentylmethanone is sourced from PubChem (CID 64915200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).